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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-N-methyl-ethanamide Openeye Name: 2-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-methyl-acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]-N-methylacetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanyl-N-methylacetamide Traditional Name: 2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-methyl-acetamide Formula: C13H19N5O3S MolecularWeight: 325.38666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)NC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)NC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H19N5O3S/c1-7(2)18-9-10(15-12(18)22-6-8(19)14-3)16(4)13(21)17(5)11(9)20/h7H,6H2,1-5H3,(H,14,19)