S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] ethanethioate

Systemtic Name: S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] ethanethioate Openeye Name: S-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl] ester IUPAC Name: S-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl] ester Formula: C10H12N4O3S MolecularWeight: 268.29228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(=O)SCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C10H12N4O3S/c1-6(15)18-5-14-4-11-8-7(14)9(16)13(3)10(17)12(8)2/h4H,5H2,1-3H3