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

Systemtic Name: N-(3-chlorophenyl)-3-cyclohexyl-4-oxidanylidene-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: N-(3-chlorophenyl)-3-cyclohexyl-4-oxo-2-(4-pyridylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: N-(3-chlorophenyl)-3-cyclohexyl-4-oxo-2-(pyridin-4-ylmethylthio)-7-quinazolinecarboxamide IUPAC Name: N-(3-chlorophenyl)-3-cyclohexyl-4-oxo-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxamide Traditional Name: N-(3-chlorophenyl)-3-cyclohexyl-4-keto-2-(4-pyridylmethylthio)quinazoline-7-carboxamide Formula: C27H25ClN4O2S MolecularWeight: 505.031

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)N=C2SCC5=CC=NC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)N=C2SCC5=CC=NC=C5

InChI

InChI=1S/C27H25ClN4O2S/c28-20-5-4-6-21(16-20)30-25(33)19-9-10-23-24(15-19)31-27(35-17-18-11-13-29-14-12-18)32(26(23)34)22-7-2-1-3-8-22/h4-6,9-16,22H,1-3,7-8,17H2,(H,30,33)