methyl 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylthio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylthio]-3-isobutyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C21H26N4O4S MolecularWeight: 430.52054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(=N1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)C

Isomeric SMILES

CCCCC1=NOC(=N1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)C

InChI

InChI=1S/C21H26N4O4S/c1-5-6-7-17-23-18(29-24-17)12-30-21-22-16-10-14(20(27)28-4)8-9-15(16)19(26)25(21)11-13(2)3/h8-10,13H,5-7,11-12H2,1-4H3