ethyl 4-azanyl-8-butyl-7-cyano-9-methylsulfanyl-6-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 4-azanyl-8-butyl-7-cyano-9-methylsulfanyl-6-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carboxylate Openeye Name: ethyl 4-amino-8-butyl-7-cyano-9-methylsulfanyl-6-oxo-pyrido[1,2-a]pyrimidine-3-carboxylate CAS Name: 4-amino-8-butyl-7-cyano-9-(methylthio)-6-oxo-3-pyrido[1,2-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-8-butyl-7-cyano-9-methylsulfanyl-6-oxopyrido[1,2-a]pyrimidine-3-carboxylate Traditional Name: 4-amino-8-butyl-7-cyano-6-keto-9-(methylthio)pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N2C(=C(C=NC2=C1SC)C(=O)OCC)N)C#N

Isomeric SMILES

CCCCC1=C(C(=O)N2C(=C(C=NC2=C1SC)C(=O)OCC)N)C#N

InChI

InChI=1S/C17H20N4O3S/c1-4-6-7-10-11(8-18)16(22)21-14(19)12(17(23)24-5-2)9-20-15(21)13(10)25-3/h9H,4-7,19H2,1-3H3