ethyl 4-azanyl-2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18N5O3S+ MolecularWeight: 372.42152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)C

InChI

InChI=1S/C17H17N5O3S/c1-3-25-16(24)12-7-19-17(21-15(12)18)26-9-11-6-14(23)22-8-10(2)4-5-13(22)20-11/h4-8H,3,9H2,1-2H3,(H2,18,19,21,24)/p+1