2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-N-(3-phenylpropyl)acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSCC(=O)NCCCC3=CC=CC=C3)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSCC(=O)NCCCC3=CC=CC=C3)C=C1

InChI

InChI=1S/C21H23N3O2S/c1-16-9-10-19-23-18(12-21(26)24(19)13-16)14-27-15-20(25)22-11-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13H,5,8,11,14-15H2,1H3,(H,22,25)