[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[(Z)-2-(dimethylamino)-1-oxidanyl-ethenyl]-4-fluoranyl-4-oxidanyl-oxolan-3-yl] 2-cyanoethyl prop-2-enyl phosphate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[(Z)-2-(dimethylamino)-1-oxidanyl-ethenyl]-4-fluoranyl-4-oxidanyl-oxolan-3-yl] 2-cyanoethyl prop-2-enyl phosphate Openeye Name: allyl [5-(2-amino-6-oxo-3H-purin-9-yl)-2-[(Z)-2-(dimethylamino)-1-hydroxy-vinyl]-4-fluoro-4-hydroxy-tetrahydrofuran-3-yl] 2-cyanoethyl phosphate CAS Name: phosphoric acid [5-(2-amino-6-oxo-3H-purin-9-yl)-2-[(Z)-2-(dimethylamino)-1-hydroxyethenyl]-4-fluoro-4-hydroxy-3-oxolanyl] 2-cyanoethyl prop-2-enyl ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-[(Z)-2-(dimethylamino)-1-hydroxyethenyl]-4-fluoro-4-hydroxyoxolan-3-yl] 2-cyanoethyl prop-2-enyl phosphate Traditional Name: phosphoric acid allyl [5-(2-amino-6-keto-3H-purin-9-yl)-2-[(Z)-2-(dimethylamino)-1-hydroxy-vinyl]-4-fluoro-4-hydroxy-tetrahydrofuran-3-yl] 2-cyanoethyl ester Formula: C19H25FN7O8P MolecularWeight: 529.416064

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=C(C1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)(O)F)OP(=O)(OCCC#N)OCC=C)O

Isomeric SMILES

CN(C)/C=C(/C1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)(O)F)OP(=O)(OCCC#N)OCC=C)\O

InChI

InChI=1S/C19H25FN7O8P/c1-4-7-32-36(31,33-8-5-6-21)35-14-13(11(28)9-26(2)3)34-17(19(14,20)30)27-10-23-12-15(27)24-18(22)25-16(12)29/h4,9-10,13-14,17,28,30H,1,5,7-8H2,2-3H3,(H3,22,24,25,29)/b11-9-