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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(3-chloro-4-methoxy-phenyl)propanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(3-chloro-4-methoxyphenyl)propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(3-chloro-4-methoxy-phenyl)propionamide Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C22H22ClN3O3S/c1-14-17(9-11-20(27)25-16-8-10-19(29-2)18(23)12-16)21(28)26-22(24-14)30-13-15-6-4-3-5-7-15/h3-8,10,12H,9,11,13H2,1-2H3,(H,25,27)(H,24,26,28)