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

Systemtic Name: N-[(3-chlorophenyl)methyl]-3-cyclohexyl-4-oxidanylidene-2-(pyridin-2-ylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-cyclohexyl-4-oxo-2-(2-pyridylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-3-cyclohexyl-4-oxo-2-(2-pyridinylmethylthio)-7-quinazolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-cyclohexyl-4-oxo-2-(pyridin-2-ylmethylsulfanyl)quinazoline-7-carboxamide Traditional Name: N-(3-chlorobenzyl)-3-cyclohexyl-4-keto-2-(2-pyridylmethylthio)quinazoline-7-carboxamide Formula: C28H27ClN4O2S MolecularWeight: 519.05758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl)N=C2SCC5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl)N=C2SCC5=CC=CC=N5

InChI

InChI=1S/C28H27ClN4O2S/c29-21-8-6-7-19(15-21)17-31-26(34)20-12-13-24-25(16-20)32-28(36-18-22-9-4-5-14-30-22)33(27(24)35)23-10-2-1-3-11-23/h4-9,12-16,23H,1-3,10-11,17-18H2,(H,31,34)