3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxidanylidene-2-(pyridin-2-ylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: 3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxidanylidene-2-(pyridin-2-ylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxo-2-(2-pyridylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxo-2-(2-pyridinylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxo-2-(pyridin-2-ylmethylsulfanyl)quinazoline-7-carboxamide Traditional Name: 3-cyclohexyl-N-(3,5-dimethylphenyl)-4-keto-2-(2-pyridylmethylthio)quinazoline-7-carboxamide Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=N4)C5CCCCC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=N4)C5CCCCC5)C

InChI

InChI=1S/C29H30N4O2S/c1-19-14-20(2)16-23(15-19)31-27(34)21-11-12-25-26(17-21)32-29(36-18-22-8-6-7-13-30-22)33(28(25)35)24-9-4-3-5-10-24/h6-8,11-17,24H,3-5,9-10,18H2,1-2H3,(H,31,34)