4-methyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine

Systemtic Name: 4-methyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine Openeye Name: 4-methyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine CAS Name: 4-methyl-5-[1-(4-methyl-1-piperazinyl)ethyl]-6-(3-nitrophenyl)-2-phenylpyrimidine IUPAC Name: 4-methyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-6-(3-nitrophenyl)-2-phenylpyrimidine Traditional Name: 4-methyl-5-[1-(4-methylpiperazino)ethyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(C)N2CCN(CC2)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1C(C)N2CCN(CC2)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-17-22(18(2)28-14-12-27(3)13-15-28)23(20-10-7-11-21(16-20)29(30)31)26-24(25-17)19-8-5-4-6-9-19/h4-11,16,18H,12-15H2,1-3H3