[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[(Z)-2-(dimethylamino)-1-oxidanyl-ethenyl]-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-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-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-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-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-hydroxy-tetrahydrofuran-3-yl] 2-cyanoethyl ester Formula: C19H26N7O8P MolecularWeight: 511.425601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N7O8P/c1-4-7-31-35(30,32-8-5-6-20)34-15-13(28)18(33-14(15)11(27)9-25(2)3)26-10-22-12-16(26)23-19(21)24-17(12)29/h4,9-10,13-15,18,27-28H,1,5,7-8H2,2-3H3,(H3,21,23,24,29)/b11-9-