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

Systemtic Name: 2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(3-hydroxyphenyl)ethanamide Openeye Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(3-hydroxyphenyl)acetamide CAS Name: 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(3-hydroxyphenyl)acetamide IUPAC Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(3-hydroxyphenyl)acetamide Traditional Name: 2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(3-hydroxyphenyl)acetamide Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O4S/c1-4-5-9-24-15-16(22(2)19(28)23(3)17(15)27)21-18(24)29-11-14(26)20-12-7-6-8-13(25)10-12/h6-8,10,25H,4-5,9,11H2,1-3H3,(H,20,26)