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

Systemtic Name: 2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(2,3-dimethylphenyl)acetamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC(=C3C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC(=C3C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H27N5O3S/c1-6-7-11-26-17-18(24(4)21(29)25(5)19(17)28)23-20(26)30-12-16(27)22-15-10-8-9-13(2)14(15)3/h8-10H,6-7,11-12H2,1-5H3,(H,22,27)