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

Systemtic Name: N-cyclohexyl-4-oxidanylidene-3-pentyl-2-(pyridin-2-ylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: N-cyclohexyl-4-oxo-3-pentyl-2-(2-pyridylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: N-cyclohexyl-4-oxo-3-pentyl-2-(2-pyridinylmethylthio)-7-quinazolinecarboxamide IUPAC Name: N-cyclohexyl-4-oxo-3-pentyl-2-(pyridin-2-ylmethylsulfanyl)quinazoline-7-carboxamide Traditional Name: 3-amyl-N-cyclohexyl-4-keto-2-(2-pyridylmethylthio)quinazoline-7-carboxamide Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)N=C1SCC4=CC=CC=N4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)N=C1SCC4=CC=CC=N4

InChI

InChI=1S/C26H32N4O2S/c1-2-3-9-16-30-25(32)22-14-13-19(24(31)28-20-10-5-4-6-11-20)17-23(22)29-26(30)33-18-21-12-7-8-15-27-21/h7-8,12-15,17,20H,2-6,9-11,16,18H2,1H3,(H,28,31)