[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[[[[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-(phenylcarbamoyloxy)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] N-phenylcarbamate

Systemtic Name: [(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[[[[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-(phenylcarbamoyloxy)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] N-phenylcarbamate Openeye Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-(phenylcarbamoyloxy)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[[[[(2R,3R,4R,5R)-4-[anilino(oxo)methoxy]-5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl] ester IUPAC Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-(phenylcarbamoyloxy)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[[[[(2R,3R,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3-hydroxy-4-(phenylcarbamoyloxy)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] ester Formula: C32H37N7O24P4 MolecularWeight: 1027.563724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)OC2C(OC(C2O)N3C=CC(=NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CC(=O)NC5=O)OC(=O)NC6=CC=CC=C6)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=CC(=NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)OC(=O)NC6=CC=CC=C6)O

InChI

InChI=1S/C32H37N7O24P4/c33-21-11-13-38(29(43)36-21)27-24(42)25(59-31(45)34-17-7-3-1-4-8-17)20(58-27)16-56-65(49,50)62-67(53,54)63-66(51,52)61-64(47,48)55-15-19-23(41)26(60-32(46)35-18-9-5-2-6-10-18)28(57-19)39-14-12-22(40)37-30(39)44/h1-14,19-20,23-28,41-42H,15-16H2,(H,34,45)(H,35,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H2,33,36,43)(H,37,40,44)/t19-,20-,23-,24-,25-,26-,27-,28-/m1/s1