2-[(3-chlorophenyl)methylsulfanyl]-7-(4-methylpiperazin-1-yl)carbonyl-3-pentyl-quinazolin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-7-(4-methylpiperazin-1-yl)carbonyl-3-pentyl-quinazolin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-7-(4-methylpiperazine-1-carbonyl)-3-pentyl-quinazolin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-7-[(4-methyl-1-piperazinyl)-oxomethyl]-3-pentyl-4-quinazolinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-7-(4-methylpiperazine-1-carbonyl)-3-pentylquinazolin-4-one Traditional Name: 3-amyl-2-[(3-chlorobenzyl)thio]-7-(4-methylpiperazine-1-carbonyl)quinazolin-4-one Formula: C26H31ClN4O2S MolecularWeight: 499.06794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C)N=C1SCC4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C)N=C1SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H31ClN4O2S/c1-3-4-5-11-31-25(33)22-10-9-20(24(32)30-14-12-29(2)13-15-30)17-23(22)28-26(31)34-18-19-7-6-8-21(27)16-19/h6-10,16-17H,3-5,11-15,18H2,1-2H3