methyl 2-[3,7-dimethyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)purin-8-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3,7-dimethyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)purin-8-yl]sulfanylethanoate Openeye Name: methyl 2-(1-benzyl-3,7-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[[3,7-dimethyl-2,6-dioxo-1-(phenylmethyl)-8-purinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(1-benzyl-3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(1-benzyl-2,6-diketo-3,7-dimethyl-purin-8-yl)thio]acetic acid methyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)OC)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)OC)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C17H18N4O4S/c1-19-13-14(18-16(19)26-10-12(22)25-3)20(2)17(24)21(15(13)23)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3