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

Systemtic Name: 1-[4-oxidanylidene-3-pentyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[4-oxo-3-pentyl-2-(3-pyridylmethylsulfanyl)quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[4-oxo-3-pentyl-2-(3-pyridinylmethylthio)-7-quinazolinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-oxo-3-pentyl-2-(pyridin-3-ylmethylsulfanyl)quinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-amyl-4-keto-2-(3-pyridylmethylthio)quinazoline-7-carbonyl]isonipecotamide Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=CN=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=CN=CC=C4

InChI

InChI=1S/C26H31N5O3S/c1-2-3-4-12-31-25(34)21-8-7-20(24(33)30-13-9-19(10-14-30)23(27)32)15-22(21)29-26(31)35-17-18-6-5-11-28-16-18/h5-8,11,15-16,19H,2-4,9-10,12-14,17H2,1H3,(H2,27,32)