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

Systemtic Name: N-methyl-2-[3-methyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-ethanamide Openeye Name: 2-(7-isopropyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanyl-N-methyl-acetamide CAS Name: N-methyl-2-[(3-methyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]acetamide IUPAC Name: N-methyl-2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetamide Traditional Name: 2-[(7-isopropyl-2,6-diketo-3-methyl-purin-8-yl)thio]-N-methyl-acetamide Formula: C12H17N5O3S MolecularWeight: 311.36008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)NC)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)NC)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H17N5O3S/c1-6(2)17-8-9(16(4)11(20)15-10(8)19)14-12(17)21-5-7(18)13-3/h6H,5H2,1-4H3,(H,13,18)(H,15,19,20)