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

Systemtic Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(pyridin-2-ylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxo-2-(2-pyridylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxo-2-(2-pyridinylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxo-2-(pyridin-2-ylmethylsulfanyl)quinazoline-7-carboxamide Traditional Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-keto-2-(2-pyridylmethylthio)quinazoline-7-carboxamide Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=N4)C5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=N4)C5CCCCC5)OC

InChI

InChI=1S/C29H30N4O4S/c1-36-25-14-12-20(17-26(25)37-2)31-27(34)19-11-13-23-24(16-19)32-29(38-18-21-8-6-7-15-30-21)33(28(23)35)22-9-4-3-5-10-22/h6-8,11-17,22H,3-5,9-10,18H2,1-2H3,(H,31,34)