N-[(2-chlorophenyl)methyl]-4-oxidanylidene-3-pentyl-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-oxidanylidene-3-pentyl-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-oxo-3-pentyl-2-(4-pyridylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-4-oxo-3-pentyl-2-(pyridin-4-ylmethylthio)-7-quinazolinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-oxo-3-pentyl-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxamide Traditional Name: 3-amyl-N-(2-chlorobenzyl)-4-keto-2-(4-pyridylmethylthio)quinazoline-7-carboxamide Formula: C27H27ClN4O2S MolecularWeight: 507.04688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3Cl)N=C1SCC4=CC=NC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3Cl)N=C1SCC4=CC=NC=C4

InChI

InChI=1S/C27H27ClN4O2S/c1-2-3-6-15-32-26(34)22-10-9-20(25(33)30-17-21-7-4-5-8-23(21)28)16-24(22)31-27(32)35-18-19-11-13-29-14-12-19/h4-5,7-14,16H,2-3,6,15,17-18H2,1H3,(H,30,33)