methyl 2-[(9-methyl-8-oxidanylidene-7H-purin-6-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(9-methyl-8-oxidanylidene-7H-purin-6-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(9-methyl-8-oxo-7H-purin-6-yl)sulfanyl]acetate CAS Name: 2-[(9-methyl-8-oxo-7H-purin-6-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(9-methyl-8-oxo-7H-purin-6-yl)sulfanyl]acetate Traditional Name: 2-[(8-keto-9-methyl-7H-purin-6-yl)thio]acetic acid methyl ester Formula: C9H10N4O3S MolecularWeight: 254.2657

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC=N2)SCC(=O)OC)NC1=O

Isomeric SMILES

CN1C2=C(C(=NC=N2)SCC(=O)OC)NC1=O

InChI

InChI=1S/C9H10N4O3S/c1-13-7-6(12-9(13)15)8(11-4-10-7)17-3-5(14)16-2/h4H,3H2,1-2H3,(H,12,15)