2-(cyanomethylsulfanyl)-3-(3,5-dimethylphenyl)-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-3-(3,5-dimethylphenyl)-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-3-(3,5-dimethylphenyl)-N-isopropyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-3-(3,5-dimethylphenyl)-4-oxo-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-3-(3,5-dimethylphenyl)-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-3-(3,5-dimethylphenyl)-N-isopropyl-4-keto-quinazoline-7-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC(C)C)N=C2SCC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC(C)C)N=C2SCC#N)C

InChI

InChI=1S/C22H22N4O2S/c1-13(2)24-20(27)16-5-6-18-19(12-16)25-22(29-8-7-23)26(21(18)28)17-10-14(3)9-15(4)11-17/h5-6,9-13H,8H2,1-4H3,(H,24,27)