2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(4-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(4-methylsulfanylphenyl)ethanamide Openeye Name: 2-(3,7-dibutyl-2,6-dioxo-purin-1-yl)-N-(4-methylsulfanylphenyl)acetamide CAS Name: 2-(3,7-dibutyl-2,6-dioxo-1-purinyl)-N-[4-(methylthio)phenyl]acetamide IUPAC Name: 2-(3,7-dibutyl-2,6-dioxopurin-1-yl)-N-(4-methylsulfanylphenyl)acetamide Traditional Name: 2-(3,7-dibutyl-2,6-diketo-purin-1-yl)-N-[4-(methylthio)phenyl]acetamide Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H29N5O3S/c1-4-6-12-25-15-23-20-19(25)21(29)27(22(30)26(20)13-7-5-2)14-18(28)24-16-8-10-17(31-3)11-9-16/h8-11,15H,4-7,12-14H2,1-3H3,(H,24,28)