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

Systemtic Name: 2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(3-chloranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(3-chloro-2-methyl-phenyl)acetamide CAS Name: 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(3-chloro-2-methylphenyl)acetamide IUPAC Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide Traditional Name: 2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(3-chloro-2-methyl-phenyl)acetamide Formula: C20H24ClN5O3S MolecularWeight: 449.95426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)NC3=C(C(=CC=C3)Cl)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)NC3=C(C(=CC=C3)Cl)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H24ClN5O3S/c1-5-6-10-26-16-17(24(3)20(29)25(4)18(16)28)23-19(26)30-11-15(27)22-14-9-7-8-13(21)12(14)2/h7-9H,5-6,10-11H2,1-4H3,(H,22,27)