2-[(6,9-dimethyl-8-oxidanylidene-7H-purin-2-yl)sulfanyl]ethanamide

Systemtic Name: 2-[(6,9-dimethyl-8-oxidanylidene-7H-purin-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(6,9-dimethyl-8-oxo-7H-purin-2-yl)sulfanyl]acetamide CAS Name: 2-[(6,9-dimethyl-8-oxo-7H-purin-2-yl)thio]acetamide IUPAC Name: 2-[(6,9-dimethyl-8-oxo-7H-purin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(8-keto-6,9-dimethyl-7H-purin-2-yl)thio]acetamide Formula: C9H11N5O2S MolecularWeight: 253.28094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)SCC(=O)N)N(C(=O)N2)C

Isomeric SMILES

CC1=C2C(=NC(=N1)SCC(=O)N)N(C(=O)N2)C

InChI

InChI=1S/C9H11N5O2S/c1-4-6-7(14(2)9(16)12-6)13-8(11-4)17-3-5(10)15/h3H2,1-2H3,(H2,10,15)(H,12,16)