1-[3-cyclohexyl-4-oxidanylidene-2-(pyridin-4-ylmethylsulfanyl)quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[3-cyclohexyl-4-oxidanylidene-2-(pyridin-4-ylmethylsulfanyl)quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-cyclohexyl-4-oxo-2-(4-pyridylmethylsulfanyl)quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-cyclohexyl-4-oxo-2-(pyridin-4-ylmethylthio)-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-cyclohexyl-4-oxo-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-cyclohexyl-4-keto-2-(4-pyridylmethylthio)quinazoline-7-carbonyl]isonipecotamide Formula: C27H31N5O3S MolecularWeight: 505.63174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)N=C2SCC5=CC=NC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)N=C2SCC5=CC=NC=C5

InChI

InChI=1S/C27H31N5O3S/c28-24(33)19-10-14-31(15-11-19)25(34)20-6-7-22-23(16-20)30-27(36-17-18-8-12-29-13-9-18)32(26(22)35)21-4-2-1-3-5-21/h6-9,12-13,16,19,21H,1-5,10-11,14-15,17H2,(H2,28,33)