2-[1-ethyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-methyl-ethanamide

Systemtic Name: 2-[1-ethyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-methyl-ethanamide Openeye Name: 2-(1-ethyl-3,7-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-methyl-acetamide CAS Name: 2-[(1-ethyl-3,7-dimethyl-2,6-dioxo-8-purinyl)thio]-N-methylacetamide IUPAC Name: 2-(1-ethyl-3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-methylacetamide Traditional Name: 2-[(1-ethyl-2,6-diketo-3,7-dimethyl-purin-8-yl)thio]-N-methyl-acetamide Formula: C12H17N5O3S MolecularWeight: 311.36008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)NC)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)NC)N(C1=O)C

InChI

InChI=1S/C12H17N5O3S/c1-5-17-10(19)8-9(16(4)12(17)20)14-11(15(8)3)21-6-7(18)13-2/h5-6H2,1-4H3,(H,13,18)