3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-pyrazolo[3,4-d]pyrimidin-1-yl-oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

Systemtic Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-pyrazolo[3,4-d]pyrimidin-1-yl-oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile Openeye Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-pyrazolo[3,4-d]pyrimidin-1-yl-tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphanyl]oxypropanenitrile CAS Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(1-pyrazolo[3,4-d]pyrimidinyl)-3-oxolanyl]oxy-[di(propan-2-yl)amino]phosphino]oxypropanenitrile IUPAC Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyrazolo[3,4-d]pyrimidin-1-yloxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile Traditional Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-pyrazolo[3,4-d]pyrimidin-1-yl-tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphino]oxypropionitrile Formula: C40H47N6O6P MolecularWeight: 738.811541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(OCCC#N)OC1CC(OC1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C6=NC=NC=C6C=N5

Isomeric SMILES

CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C6=NC=NC=C6C=N5

InChI

InChI=1S/C40H47N6O6P/c1-28(2)46(29(3)4)53(50-22-10-21-41)52-36-23-38(45-39-30(25-44-45)24-42-27-43-39)51-37(36)26-49-40(31-11-8-7-9-12-31,32-13-17-34(47-5)18-14-32)33-15-19-35(48-6)20-16-33/h7-9,11-20,24-25,27-29,36-38H,10,22-23,26H2,1-6H3/t36-,37+,38+,53?/m0/s1