methyl 2-[(3-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(3-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-fluorophenyl)methylsulfanyl]-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(3-fluorophenyl)methylthio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(3-fluorobenzyl)thio]-3-isobutyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CC(=CC=C3)F

InChI

InChI=1S/C21H21FN2O3S/c1-13(2)11-24-19(25)17-8-7-15(20(26)27-3)10-18(17)23-21(24)28-12-14-5-4-6-16(22)9-14/h4-10,13H,11-12H2,1-3H3