3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(3-methylsulfanylphenyl)propanamide

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(3-methylsulfanylphenyl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-(3-methylsulfanylphenyl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-[3-(methylthio)phenyl]propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(3-methylsulfanylphenyl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-[3-(methylthio)phenyl]propionamide Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC(=CC=C3)SC)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC(=CC=C3)SC)CC(C)C

InChI

InChI=1S/C23H31N5O3S/c1-5-6-12-27-21-20(22(30)26-23(27)31)28(14-15(2)3)18(25-21)10-11-19(29)24-16-8-7-9-17(13-16)32-4/h7-9,13,15H,5-6,10-12,14H2,1-4H3,(H,24,29)(H,26,30,31)