3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-pentan-2-yl-propanamide

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-pentan-2-yl-propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(1-methylbutyl)propanamide CAS Name: 3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-N-pentan-2-ylpropanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-pentan-2-ylpropanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(1-methylbutyl)propionamide Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CCC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C

Isomeric SMILES

CCCC(C)NC(=O)CCC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C

InChI

InChI=1S/C20H27N3O2S/c1-4-8-14(2)21-18(24)12-11-17-15(3)22-20(23-19(17)25)26-13-16-9-6-5-7-10-16/h5-7,9-10,14H,4,8,11-13H2,1-3H3,(H,21,24)(H,22,23,25)