[5-(6-azanyl-2-chloranyl-purin-9-yl)-3-[2-cyanoethoxy(prop-2-enoxy)phosphoryl]oxy-oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(6-azanyl-2-chloranyl-purin-9-yl)-3-[2-cyanoethoxy(prop-2-enoxy)phosphoryl]oxy-oxolan-2-yl]methyl benzoate Openeye Name: [3-[allyloxy(2-cyanoethoxy)phosphoryl]oxy-5-(6-amino-2-chloro-purin-9-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(6-amino-2-chloro-9-purinyl)-3-[2-cyanoethoxy(prop-2-enoxy)phosphoryl]oxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-amino-2-chloropurin-9-yl)-3-[2-cyanoethoxy(prop-2-enoxy)phosphoryl]oxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3-[allyloxy(2-cyanoethoxy)phosphoryl]oxy-5-(6-amino-2-chloro-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C23H24ClN6O7P MolecularWeight: 562.899421

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOP(=O)(OCCC#N)OC1CC(OC1COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=C(N=C4N)Cl

Isomeric SMILES

C=CCOP(=O)(OCCC#N)OC1CC(OC1COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=C(N=C4N)Cl

InChI

InChI=1S/C23H24ClN6O7P/c1-2-10-34-38(32,35-11-6-9-25)37-16-12-18(30-14-27-19-20(26)28-23(24)29-21(19)30)36-17(16)13-33-22(31)15-7-4-3-5-8-15/h2-5,7-8,14,16-18H,1,6,10-13H2,(H2,26,28,29)