2-(pyridin-2-ylmethylsulfanyl)-1H-quinazolin-4-one hydrochloride

Systemtic Name: 2-(pyridin-2-ylmethylsulfanyl)-1H-quinazolin-4-one hydrochloride Openeye Name: 2-(2-pyridylmethylsulfanyl)-1H-quinazolin-4-one hydrochloride CAS Name: 2-(2-pyridinylmethylthio)-1H-quinazolin-4-one hydrochloride IUPAC Name: 2-(pyridin-2-ylmethylsulfanyl)-1H-quinazolin-4-one hydrochloride Traditional Name: 2-(2-pyridylmethylthio)-1H-quinazolin-4-one hydrochloride Formula: C14H12ClN3OS MolecularWeight: 305.78258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=CC=CC=N3.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=CC=CC=N3.Cl

InChI

InChI=1S/C14H11N3OS.ClH/c18-13-11-6-1-2-7-12(11)16-14(17-13)19-9-10-5-3-4-8-15-10;/h1-8H,9H2,(H,16,17,18);1H