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

Systemtic Name: 3,5-dimethyl-2-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3,5-dimethyl-2-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3,5-dimethyl-2-[[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3,5-dimethyl-2-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3,5-dimethyl-2-[[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzyl]thio]quinazolin-4-one Formula: C26H26N6O2S MolecularWeight: 486.58864

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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=NC=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C26H26N6O2S/c1-18-5-3-6-21-22(18)24(34)30(2)26(29-21)35-17-19-7-9-20(10-8-19)23(33)31-13-15-32(16-14-31)25-27-11-4-12-28-25/h3-12H,13-17H2,1-2H3