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

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-oxidanylidene-3-pentyl-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-oxo-3-pentyl-2-(4-pyridylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-4-oxo-3-pentyl-2-(pyridin-4-ylmethylthio)-7-quinazolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-oxo-3-pentyl-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxamide Traditional Name: 3-amyl-N-(3-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=C3)Cl)N=C1SCC4=CC=NC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)N=C1SCC4=CC=NC=C4

InChI

InChI=1S/C27H27ClN4O2S/c1-2-3-4-14-32-26(34)23-9-8-21(25(33)30-17-20-6-5-7-22(28)15-20)16-24(23)31-27(32)35-18-19-10-12-29-13-11-19/h5-13,15-16H,2-4,14,17-18H2,1H3,(H,30,33)