[5-(4-azanyl-2-oxidanylidene-1,3,5-triazin-1-yl)-3-[2-cyanoethoxy(prop-2-enoxy)phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-1,3,5-triazin-1-yl)-3-[2-cyanoethoxy(prop-2-enoxy)phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [3-[allyloxy(2-cyanoethoxy)phosphoryl]oxy-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-[2-cyanoethoxy(prop-2-enoxy)phosphoryl]oxy-4-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-[2-cyanoethoxy(prop-2-enoxy)phosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3-[allyloxy(2-cyanoethoxy)phosphoryl]oxy-5-(4-amino-2-keto-s-triazin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C21H24N5O9P MolecularWeight: 521.417121

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOP(=O)(OCCC#N)OC1C(OC(C1O)N2C=NC(=NC2=O)N)COC(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCOP(=O)(OCCC#N)OC1C(OC(C1O)N2C=NC(=NC2=O)N)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N5O9P/c1-2-10-32-36(30,33-11-6-9-22)35-17-15(12-31-19(28)14-7-4-3-5-8-14)34-18(16(17)27)26-13-24-20(23)25-21(26)29/h2-5,7-8,13,15-18,27H,1,6,10-12H2,(H2,23,25,29)