3-[[1-[5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-4-oxidanyl-3-(9-phenylxanthen-9-yl)oxy-oxolan-2-yl]-3-methyl-2-oxidanylidene-butoxy]-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

Systemtic Name: 3-[[1-[5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-4-oxidanyl-3-(9-phenylxanthen-9-yl)oxy-oxolan-2-yl]-3-methyl-2-oxidanylidene-butoxy]-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile Openeye Name: 3-[[1-[5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-4-hydroxy-3-(9-phenylxanthen-9-yl)oxy-tetrahydrofuran-2-yl]-3-methyl-2-oxo-butoxy]-(diisopropylamino)phosphanyl]oxypropanenitrile CAS Name: 3-[[1-[5-(4-amino-5-methyl-2-oxo-1-pyrimidinyl)-4-hydroxy-3-[(9-phenyl-9-xanthenyl)oxy]-2-oxolanyl]-3-methyl-2-oxobutoxy]-[di(propan-2-yl)amino]phosphino]oxypropanenitrile IUPAC Name: 3-[[1-[5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxy-3-(9-phenylxanthen-9-yl)oxyoxolan-2-yl]-3-methyl-2-oxobutoxy]-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile Traditional Name: 3-[[1-[5-(4-amino-2-keto-5-methyl-pyrimidin-1-yl)-4-hydroxy-3-(9-phenylxanthen-9-yl)oxy-tetrahydrofuran-2-yl]-2-keto-3-methyl-butoxy]-(diisopropylamino)phosphino]oxypropionitrile Formula: C42H50N5O8P MolecularWeight: 783.848861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1N)C2C(C(C(O2)C(C(=O)C(C)C)OP(N(C(C)C)C(C)C)OCCC#N)OC3(C4=CC=CC=C4OC5=CC=CC=C53)C6=CC=CC=C6)O

Isomeric SMILES

CC1=CN(C(=O)N=C1N)C2C(C(C(O2)C(C(=O)C(C)C)OP(N(C(C)C)C(C)C)OCCC#N)OC3(C4=CC=CC=C4OC5=CC=CC=C53)C6=CC=CC=C6)O

InChI

InChI=1S/C42H50N5O8P/c1-25(2)34(48)37(55-56(51-23-15-22-43)47(26(3)4)27(5)6)38-36(35(49)40(53-38)46-24-28(7)39(44)45-41(46)50)54-42(29-16-9-8-10-17-29)30-18-11-13-20-32(30)52-33-21-14-12-19-31(33)42/h8-14,16-21,24-27,35-38,40,49H,15,23H2,1-7H3,(H2,44,45,50)