3-cyclohexyl-7-(4-methylpiperazin-1-yl)carbonyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-cyclohexyl-7-(4-methylpiperazin-1-yl)carbonyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-cyclohexyl-7-(4-methylpiperazine-1-carbonyl)-2-(2-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 3-cyclohexyl-7-[(4-methyl-1-piperazinyl)-oxomethyl]-2-(2-pyridinylmethylthio)-4-quinazolinone IUPAC Name: 3-cyclohexyl-7-(4-methylpiperazine-1-carbonyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-cyclohexyl-7-(4-methylpiperazine-1-carbonyl)-2-(2-pyridylmethylthio)quinazolin-4-one Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=N4)C5CCCCC5

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=N4)C5CCCCC5

InChI

InChI=1S/C26H31N5O2S/c1-29-13-15-30(16-14-29)24(32)19-10-11-22-23(17-19)28-26(34-18-20-7-5-6-12-27-20)31(25(22)33)21-8-3-2-4-9-21/h5-7,10-12,17,21H,2-4,8-9,13-16,18H2,1H3