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

Systemtic Name: 2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-N-(3-nitrophenyl)acetamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C=C1

InChI

InChI=1S/C18H16N4O4S/c1-12-5-6-16-19-14(8-18(24)21(16)9-12)10-27-11-17(23)20-13-3-2-4-15(7-13)22(25)26/h2-9H,10-11H2,1H3,(H,20,23)