3-[[[2-[[(3aR,4R,6aR)-4-[4-[[bis(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxidanylidene-pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-[di(propan-2-yl)amino]phosphoryl]oxypropanenitrile

Systemtic Name: 3-[[[2-[[(3aR,4R,6aR)-4-[4-[[bis(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxidanylidene-pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-[di(propan-2-yl)amino]phosphoryl]oxypropanenitrile Openeye Name: 3-[[[2-[[(3aR,4R,6aR)-4-[4-[[bis(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxo-pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]-3,4-dioxo-cyclobuten-1-yl]amino]-(diisopropylamino)phosphoryl]oxypropanenitrile CAS Name: 3-[[[2-[[(3aR,4R,6aR)-4-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxo-1-pyrimidinyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]-3,4-dioxo-1-cyclobutenyl]amino]-[di(propan-2-yl)amino]phosphoryl]oxypropanenitrile IUPAC Name: 3-[[[2-[[(3aR,4R,6aR)-4-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]-3,4-dioxocyclobuten-1-yl]amino]-[di(propan-2-yl)amino]phosphoryl]oxypropanenitrile Traditional Name: 3-[[[2-[[(3aR,4R,6aR)-4-[4-[[bis(4-methoxyphenyl)-phenyl-methyl]amino]-2-keto-pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]-3,4-diketo-cyclobuten-1-yl]amino]-(diisopropylamino)phosphoryl]oxypropionitrile Formula: C46H54N7O10P MolecularWeight: 895.935621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(=O)(NC1=C(C(=O)C1=O)NCC2C3C(C(O2)N4C=CC(=NC4=O)NC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)OC(O3)(C)C)OCCC#N

Isomeric SMILES

CC(C)N(C(C)C)P(=O)(NC1=C(C(=O)C1=O)NCC2[C@@H]3[C@H]([C@@H](O2)N4C=CC(=NC4=O)NC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)OC(O3)(C)C)OCCC#N

InChI

InChI=1S/C46H54N7O10P/c1-28(2)53(29(3)4)64(57,60-26-12-24-47)51-38-37(39(54)40(38)55)48-27-35-41-42(63-45(5,6)62-41)43(61-35)52-25-23-36(49-44(52)56)50-46(30-13-10-9-11-14-30,31-15-19-33(58-7)20-16-31)32-17-21-34(59-8)22-18-32/h9-11,13-23,25,28-29,35,41-43,48H,12,26-27H2,1-8H3,(H,51,57)(H,49,50,56)/t35?,41-,42-,43-,64?/m1/s1