3-pentyl-7-(4-phenylpiperazin-1-yl)carbonyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-pentyl-7-(4-phenylpiperazin-1-yl)carbonyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-pentyl-7-(4-phenylpiperazine-1-carbonyl)-2-(2-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 7-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-pentyl-2-(2-pyridinylmethylthio)-4-quinazolinone IUPAC Name: 3-pentyl-7-(4-phenylpiperazine-1-carbonyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-amyl-7-(4-phenylpiperazine-1-carbonyl)-2-(2-pyridylmethylthio)quinazolin-4-one Formula: C30H33N5O2S MolecularWeight: 527.68032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)N=C1SCC5=CC=CC=N5

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)N=C1SCC5=CC=CC=N5

InChI

InChI=1S/C30H33N5O2S/c1-2-3-9-16-35-29(37)26-14-13-23(21-27(26)32-30(35)38-22-24-10-7-8-15-31-24)28(36)34-19-17-33(18-20-34)25-11-5-4-6-12-25/h4-8,10-15,21H,2-3,9,16-20,22H2,1H3