3,5-dimethyl-2-[[4-(4-pyridin-2-ylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3,5-dimethyl-2-[[4-(4-pyridin-2-ylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3,5-dimethyl-2-[[4-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3,5-dimethyl-2-[[4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3,5-dimethyl-2-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3,5-dimethyl-2-[[4-[4-(2-pyridyl)piperazine-1-carbonyl]benzyl]thio]quinazolin-4-one Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C27H27N5O2S/c1-19-6-5-7-22-24(19)26(34)30(2)27(29-22)35-18-20-9-11-21(12-10-20)25(33)32-16-14-31(15-17-32)23-8-3-4-13-28-23/h3-13H,14-18H2,1-2H3