N-(2-methylsulfanylethyl)-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-(2-methylsulfanylethyl)-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-(2-methylsulfanylethyl)-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[2-(methylthio)ethyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-(2-methylsulfanylethyl)-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[2-(methylthio)ethyl]-1H-quinazoline-2-carboxamide Formula: C12H13N3O2S MolecularWeight: 263.31552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CSCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C12H13N3O2S/c1-18-7-6-13-12(17)10-14-9-5-3-2-4-8(9)11(16)15-10/h2-5H,6-7H2,1H3,(H,13,17)(H,14,15,16)