N-(4-ethanoylphenyl)-2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanamide Openeye Name: N-(4-acetylphenyl)-2-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanamide Traditional Name: N-(4-acetylphenyl)-2-[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]propionamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSC(C)C(=O)NC3=CC=C(C=C3)C(=O)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSC(C)C(=O)NC3=CC=C(C=C3)C(=O)C)C=C1

InChI

InChI=1S/C21H21N3O3S/c1-13-4-9-19-22-18(10-20(26)24(19)11-13)12-28-15(3)21(27)23-17-7-5-16(6-8-17)14(2)25/h4-11,15H,12H2,1-3H3,(H,23,27)