3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide

Systemtic Name: 3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide Openeye Name: N-[1-(4-isobutylphenyl)ethyl]-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: 3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide IUPAC Name: 3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide Traditional Name: N-[1-(4-isobutylphenyl)ethyl]-3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propionamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC(C)C2=CC=C(C=C2)CC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC(C)C2=CC=C(C=C2)CC(C)C

InChI

InChI=1S/C21H29N3O2S/c1-13(2)12-16-6-8-17(9-7-16)14(3)22-19(25)11-10-18-15(4)23-21(27-5)24-20(18)26/h6-9,13-14H,10-12H2,1-5H3,(H,22,25)(H,23,24,26)