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

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

Click to see the large picture

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=NC=C4)C5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=NC=C4)C5CCCCC5)OC

InChI

InChI=1S/C29H30N4O4S/c1-36-25-11-9-21(17-26(25)37-2)31-27(34)20-8-10-23-24(16-20)32-29(38-18-19-12-14-30-15-13-19)33(28(23)35)22-6-4-3-5-7-22/h8-17,22H,3-7,18H2,1-2H3,(H,31,34)