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

Systemtic Name: methyl 2-[(2-cyanophenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(2-cyanophenyl)methylsulfanyl]-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(2-cyanophenyl)methylthio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-cyanophenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(2-cyanobenzyl)thio]-3-isobutyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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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=C3C#N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H21N3O3S/c1-14(2)12-25-20(26)18-9-8-15(21(27)28-3)10-19(18)24-22(25)29-13-17-7-5-4-6-16(17)11-23/h4-10,14H,12-13H2,1-3H3