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

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(2-prop-2-enylsulfanylphenyl)propanamide Openeye Name: N-(2-allylsulfanylphenyl)-3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-[2-(prop-2-enylthio)phenyl]propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(2-prop-2-enylsulfanylphenyl)propanamide Traditional Name: N-[2-(allylthio)phenyl]-3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)propionamide Formula: C25H33N5O3S MolecularWeight: 483.62622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC=C3SCC=C)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC=C3SCC=C)CC(C)C

InChI

InChI=1S/C25H33N5O3S/c1-5-7-14-29-23-22(24(32)28-25(29)33)30(16-17(3)4)20(27-23)12-13-21(31)26-18-10-8-9-11-19(18)34-15-6-2/h6,8-11,17H,2,5,7,12-16H2,1,3-4H3,(H,26,31)(H,28,32,33)