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

Systemtic Name: 3,5-dimethyl-2-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3,5-dimethyl-2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3,5-dimethyl-2-[[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3,5-dimethyl-2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3,5-dimethyl-2-[[4-(4-methylpiperazine-1-carbonyl)benzyl]thio]quinazolin-4-one Formula: C23H26N4O2S MolecularWeight: 422.54314

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-16-5-4-6-19-20(16)22(29)26(3)23(24-19)30-15-17-7-9-18(10-8-17)21(28)27-13-11-25(2)12-14-27/h4-10H,11-15H2,1-3H3