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

Systemtic Name: 1-[4-oxidanylidene-3-prop-2-enyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-allyl-4-oxo-2-(3-pyridylmethylsulfanyl)quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[4-oxo-3-prop-2-enyl-2-(3-pyridinylmethylthio)-7-quinazolinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-oxo-3-prop-2-enyl-2-(pyridin-3-ylmethylsulfanyl)quinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-allyl-4-keto-2-(3-pyridylmethylthio)quinazoline-7-carbonyl]isonipecotamide Formula: C24H25N5O3S MolecularWeight: 463.552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=CN=CC=C4

InChI

InChI=1S/C24H25N5O3S/c1-2-10-29-23(32)19-6-5-18(22(31)28-11-7-17(8-12-28)21(25)30)13-20(19)27-24(29)33-15-16-4-3-9-26-14-16/h2-6,9,13-14,17H,1,7-8,10-12,15H2,(H2,25,30)