(phenylmethyl) 2-(3-methyl-2-methylsulfanyl-4-oxidanylidene-quinazolin-7-yl)carbonylpyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(3-methyl-2-methylsulfanyl-4-oxidanylidene-quinazolin-7-yl)carbonylpyrazolidine-1-carboxylate Openeye Name: benzyl 2-(3-methyl-2-methylsulfanyl-4-oxo-quinazoline-7-carbonyl)pyrazolidine-1-carboxylate CAS Name: 2-[[3-methyl-2-(methylthio)-4-oxo-7-quinazolinyl]-oxomethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-methyl-2-methylsulfanyl-4-oxoquinazoline-7-carbonyl)pyrazolidine-1-carboxylate Traditional Name: 2-[4-keto-3-methyl-2-(methylthio)quinazoline-7-carbonyl]pyrazolidine-1-carboxylic acid benzyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCN3C(=O)OCC4=CC=CC=C4)N=C1SC

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCN3C(=O)OCC4=CC=CC=C4)N=C1SC

InChI

InChI=1S/C22H22N4O4S/c1-24-20(28)17-10-9-16(13-18(17)23-21(24)31-2)19(27)25-11-6-12-26(25)22(29)30-14-15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12,14H2,1-2H3