4-oxidanylidene-2-(phenylmethylsulfanyl)pyrido[1,2-a]pyrimidine-3-carbaldehyde

Systemtic Name: 4-oxidanylidene-2-(phenylmethylsulfanyl)pyrido[1,2-a]pyrimidine-3-carbaldehyde Openeye Name: 2-benzylsulfanyl-4-oxo-pyrido[1,2-a]pyrimidine-3-carbaldehyde CAS Name: 4-oxo-2-(phenylmethylthio)-3-pyrido[1,2-a]pyrimidinecarboxaldehyde IUPAC Name: 2-benzylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde Traditional Name: 2-(benzylthio)-4-keto-pyrido[1,2-a]pyrimidine-3-carbaldehyde Formula: C16H12N2O2S MolecularWeight: 296.34368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=O)N3C=CC=CC3=N2)C=O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=O)N3C=CC=CC3=N2)C=O

InChI

InChI=1S/C16H12N2O2S/c19-10-13-15(21-11-12-6-2-1-3-7-12)17-14-8-4-5-9-18(14)16(13)20/h1-10H,11H2