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

Systemtic Name: 3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-(3-methylsulfanylphenyl)propanamide Openeye Name: 3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)-N-(3-methylsulfanylphenyl)propanamide CAS Name: 3-(3,7-dibutyl-2,6-dioxo-8-purinyl)-N-[3-(methylthio)phenyl]propanamide IUPAC Name: 3-(3,7-dibutyl-2,6-dioxopurin-8-yl)-N-(3-methylsulfanylphenyl)propanamide Traditional Name: 3-(3,7-dibutyl-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:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C23H31N5O3S/c1-4-6-13-27-18(11-12-19(29)24-16-9-8-10-17(15-16)32-3)25-21-20(27)22(30)26-23(31)28(21)14-7-5-2/h8-10,15H,4-7,11-14H2,1-3H3,(H,24,29)(H,26,30,31)