3-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

Systemtic Name: 3-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile Openeye Name: 3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphanyl]oxypropanenitrile CAS Name: 3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-oxolanyl]oxy-[di(propan-2-yl)amino]phosphino]oxypropanenitrile IUPAC Name: 3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile Traditional Name: 3-[[5-(2-amino-6-keto-3H-purin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphino]oxypropionitrile Formula: C40H48N7O8P MolecularWeight: 785.824981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1O)N2C=NC3=C2NC(=NC3=O)N)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC

Isomeric SMILES

CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1O)N2C=NC3=C2NC(=NC3=O)N)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC

InChI

InChI=1S/C40H48N7O8P/c1-25(2)47(26(3)4)56(53-22-10-21-41)55-35-32(54-38(34(35)48)46-24-43-33-36(46)44-39(42)45-37(33)49)23-52-40(27-11-8-7-9-12-27,28-13-17-30(50-5)18-14-28)29-15-19-31(51-6)20-16-29/h7-9,11-20,24-26,32,34-35,38,48H,10,22-23H2,1-6H3,(H3,42,44,45,49)