2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)ethanamide Openeye Name: 2-[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide CAS Name: 2-[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2,5-dimethyl-3-pyrazolyl)acetamide IUPAC Name: 2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide Traditional Name: 2-[[3-(2,6-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(2,5-dimethylpyrazol-3-yl)acetamide Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=NN4C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=NN4C)C

InChI

InChI=1S/C23H23N5O2S/c1-14-8-7-9-15(2)21(14)28-22(30)17-10-5-6-11-18(17)24-23(28)31-13-20(29)25-19-12-16(3)26-27(19)4/h5-12H,13H2,1-4H3,(H,25,29)