3-[[2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolan-3-yl]oxy-(1H-imidazol-5-yl)phosphanyl]oxyhexanenitrile

Systemtic Name: 3-[[2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolan-3-yl]oxy-(1H-imidazol-5-yl)phosphanyl]oxyhexanenitrile Openeye Name: 3-[[5-[6-(benzylamino)purin-9-yl]-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-(1H-imidazol-5-yl)phosphanyl]oxyhexanenitrile CAS Name: 3-[[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[6-[(phenylmethyl)amino]-9-purinyl]-3-oxolanyl]oxy-(1H-imidazol-5-yl)phosphino]oxyhexanenitrile IUPAC Name: 3-[[5-[6-(benzylamino)purin-9-yl]-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-(1H-imidazol-5-yl)phosphanyl]oxyhexanenitrile Traditional Name: 3-[[5-[6-(benzylamino)purin-9-yl]-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-(1H-imidazol-5-yl)phosphino]oxyhexanenitrile Formula: C47H49N8O6P MolecularWeight: 852.915721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC#N)OP(C1=CN=CN1)OC2CC(OC2COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)N6C=NC7=C6N=CN=C7NCC8=CC=CC=C8

Isomeric SMILES

CCCC(CC#N)OP(C1=CN=CN1)OC2CC(OC2COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)N6C=NC7=C6N=CN=C7NCC8=CC=CC=C8

InChI

InChI=1S/C47H49N8O6P/c1-4-11-39(24-25-48)60-62(42-28-49-30-51-42)61-40-26-43(55-32-54-44-45(52-31-53-46(44)55)50-27-33-12-7-5-8-13-33)59-41(40)29-58-47(34-14-9-6-10-15-34,35-16-20-37(56-2)21-17-35)36-18-22-38(57-3)23-19-36/h5-10,12-23,28,30-32,39-41,43H,4,11,24,26-27,29H2,1-3H3,(H,49,51)(H,50,52,53)