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

Systemtic Name: 3-cyclohexyl-4-oxidanylidene-N-(phenylmethyl)-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-3-cyclohexyl-4-oxo-2-(4-pyridylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-4-oxo-N-(phenylmethyl)-2-(pyridin-4-ylmethylthio)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-3-cyclohexyl-4-oxo-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxamide Traditional Name: N-benzyl-3-cyclohexyl-4-keto-2-(4-pyridylmethylthio)quinazoline-7-carboxamide Formula: C28H28N4O2S MolecularWeight: 484.61252

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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)N=C2SCC5=CC=NC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)N=C2SCC5=CC=NC=C5

InChI

InChI=1S/C28H28N4O2S/c33-26(30-18-20-7-3-1-4-8-20)22-11-12-24-25(17-22)31-28(35-19-21-13-15-29-16-14-21)32(27(24)34)23-9-5-2-6-10-23/h1,3-4,7-8,11-17,23H,2,5-6,9-10,18-19H2,(H,30,33)