[[(3aR,4R,6R,6aR)-4-[4-[(4-fluorophenyl)carbamoylamino]-2-oxidanylidene-pyrimidin-1-yl]-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl] [[[(3aR,4R,6R,6aR)-4-(2-oxidanylidene-1,3-diazinan-1-yl)-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate

Systemtic Name: [[(3aR,4R,6R,6aR)-4-[4-[(4-fluorophenyl)carbamoylamino]-2-oxidanylidene-pyrimidin-1-yl]-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl] [[[(3aR,4R,6R,6aR)-4-(2-oxidanylidene-1,3-diazinan-1-yl)-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate Openeye Name: [[(3aR,4R,6R,6aR)-2-benzyl-4-[4-[(4-fluorophenyl)carbamoylamino]-2-oxo-pyrimidin-1-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phosphoryl] [[[(3aR,4R,6R,6aR)-2-benzyl-4-(2-oxohexahydropyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate CAS Name: [[(3aR,4R,6R,6aR)-4-[4-[[(4-fluoroanilino)-oxomethyl]amino]-2-oxo-1-pyrimidinyl]-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] [[[(3aR,4R,6R,6aR)-4-(2-oxo-1,3-diazinan-1-yl)-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate IUPAC Name: [[(3aR,4R,6R,6aR)-2-benzyl-4-[4-[(4-fluorophenyl)carbamoylamino]-2-oxopyrimidin-1-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] [[[(3aR,4R,6R,6aR)-2-benzyl-4-(2-oxo-1,3-diazinan-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate Traditional Name: [[(3aR,4R,6R,6aR)-2-benzyl-4-[4-[(4-fluorophenyl)carbamoylamino]-2-keto-pyrimidin-1-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phosphoryl] [[[(3aR,4R,6R,6aR)-2-benzyl-4-(2-ketohexahydropyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate Formula: C41H47FN6O22P4 MolecularWeight: 1118.732327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)N(C1)C2C3C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C5C(C(O4)N6C=CC(=NC6=O)NC(=O)NC7=CC=C(C=C7)F)OC(O5)CC8=CC=CC=C8)OC(O3)CC9=CC=CC=C9

Isomeric SMILES

C1CNC(=O)N(C1)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@@H]5[C@H]([C@@H](O4)N6C=CC(=NC6=O)NC(=O)NC7=CC=C(C=C7)F)OC(O5)CC8=CC=CC=C8)OC(O3)CC9=CC=CC=C9

InChI

InChI=1S/C41H47FN6O22P4/c42-26-12-14-27(15-13-26)44-39(49)45-30-16-19-48(41(51)46-30)38-36-34(65-32(67-36)21-25-10-5-2-6-11-25)29(63-38)23-61-72(54,55)69-74(58,59)70-73(56,57)68-71(52,53)60-22-28-33-35(37(62-28)47-18-7-17-43-40(47)50)66-31(64-33)20-24-8-3-1-4-9-24/h1-6,8-16,19,28-29,31-38H,7,17-18,20-23H2,(H,43,50)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H2,44,45,46,49,51)/t28-,29-,31?,32?,33-,34-,35-,36-,37-,38-/m1/s1