N'-[3-[5-[[[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-4-methoxy-phenyl]-(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-2-yl]-7-oxidanylidene-2H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-N,N-dimethyl-methanimidamide

Systemtic Name: N'-[3-[5-[[[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-4-methoxy-phenyl]-(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-2-yl]-7-oxidanylidene-2H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-N,N-dimethyl-methanimidamide Openeye Name: N'-[3-[5-[[[3-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxy-4-methoxy-phenyl]-(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-tetrahydrofuran-2-yl]-7-oxo-2H-triazolo[4,5-d]pyrimidin-5-yl]-N,N-dimethyl-formamidine CAS Name: N'-[3-[5-[[[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphino]oxy-4-methoxyphenyl]-(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-2-oxolanyl]-7-oxo-2H-triazolo[4,5-d]pyrimidin-5-yl]-N,N-dimethylmethanimidamide IUPAC Name: N'-[3-[5-[[[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-4-methoxyphenyl]-(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-7-oxo-2H-triazolo[4,5-d]pyrimidin-5-yl]-N,N-dimethylmethanimidamide Traditional Name: N'-[3-[5-[[[3-[2-cyanoethoxy-(diisopropylamino)phosphino]oxy-4-methoxy-phenyl]-(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-tetrahydrofuran-2-yl]-7-keto-2H-triazolo[4,5-d]pyrimidin-5-yl]-N,N-dimethyl-formamidine Formula: C42H52N9O8P MolecularWeight: 841.891541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(OCCC#N)OC1=C(C=CC(=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C6=NC(=NC(=O)C6=NN5)N=CN(C)C)O)OC

Isomeric SMILES

CC(C)N(C(C)C)P(OCCC#N)OC1=C(C=CC(=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C6=NC(=NC(=O)C6=NN5)/N=C/N(C)C)O)OC

InChI

InChI=1S/C42H52N9O8P/c1-27(2)51(28(3)4)60(57-22-12-21-43)59-35-23-31(17-20-34(35)55-8)42(29-13-10-9-11-14-29,30-15-18-32(54-7)19-16-30)56-25-36-33(52)24-37(58-36)50-39-38(47-48-50)40(53)46-41(45-39)44-26-49(5)6/h9-11,13-20,23,26-28,33,36-37,48,52H,12,22,24-25H2,1-8H3/b44-26+