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

Systemtic Name: methyl 4-azanylidene-2-methylsulfanyl-3-(phenylsulfonyl)pyrido[1,2-a]pyrimidine-7-carboxylate Openeye Name: methyl 3-(benzenesulfonyl)-4-imino-2-methylsulfanyl-pyrido[1,2-a]pyrimidine-7-carboxylate CAS Name: 3-(benzenesulfonyl)-4-imino-2-(methylthio)-7-pyrido[1,2-a]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 3-(benzenesulfonyl)-4-imino-2-methylsulfanylpyrido[1,2-a]pyrimidine-7-carboxylate Traditional Name: 3-besyl-4-imino-2-(methylthio)pyrido[1,2-a]pyrimidine-7-carboxylic acid methyl ester Formula: C17H15N3O4S2 MolecularWeight: 389.4487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN2C(=NC(=C(C2=N)S(=O)(=O)C3=CC=CC=C3)SC)C=C1

Isomeric SMILES

COC(=O)C1=CN2C(=NC(=C(C2=N)S(=O)(=O)C3=CC=CC=C3)SC)C=C1

InChI

InChI=1S/C17H15N3O4S2/c1-24-17(21)11-8-9-13-19-16(25-2)14(15(18)20(13)10-11)26(22,23)12-6-4-3-5-7-12/h3-10,18H,1-2H3