4-azanylidene-2-methylsulfanyl-3-(phenylsulfonyl)pyrido[1,2-a]pyrimidine-7-carboxylic acid

Systemtic Name: 4-azanylidene-2-methylsulfanyl-3-(phenylsulfonyl)pyrido[1,2-a]pyrimidine-7-carboxylic acid Openeye Name: 3-(benzenesulfonyl)-4-imino-2-methylsulfanyl-pyrido[1,2-a]pyrimidine-7-carboxylic acid CAS Name: 3-(benzenesulfonyl)-4-imino-2-(methylthio)-7-pyrido[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 3-(benzenesulfonyl)-4-imino-2-methylsulfanylpyrido[1,2-a]pyrimidine-7-carboxylic acid Traditional Name: 3-besyl-4-imino-2-(methylthio)pyrido[1,2-a]pyrimidine-7-carboxylic acid Formula: C16H13N3O4S2 MolecularWeight: 375.42212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=N)N2C=C(C=CC2=N1)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=C(C(=N)N2C=C(C=CC2=N1)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O4S2/c1-24-15-13(25(22,23)11-5-3-2-4-6-11)14(17)19-9-10(16(20)21)7-8-12(19)18-15/h2-9,17H,1H3,(H,20,21)