N-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-3-pentyl-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-3-pentyl-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-3-pentyl-2-(4-pyridylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-4-oxo-3-pentyl-2-(pyridin-4-ylmethylthio)-7-quinazolinecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-3-pentyl-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxamide Traditional Name: 3-amyl-N-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-(4-pyridylmethylthio)quinazoline-7-carboxamide Formula: C28H34N4O2S MolecularWeight: 490.66016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CCCCC3)N=C1SCC4=CC=NC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CCCCC3)N=C1SCC4=CC=NC=C4

InChI

InChI=1S/C28H34N4O2S/c1-2-3-7-18-32-27(34)24-11-10-23(26(33)30-17-14-21-8-5-4-6-9-21)19-25(24)31-28(32)35-20-22-12-15-29-16-13-22/h8,10-13,15-16,19H,2-7,9,14,17-18,20H2,1H3,(H,30,33)