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

Systemtic Name: 4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine Openeye Name: 4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine CAS Name: 4-methyl-5-[(4-methyl-1-piperazinyl)methyl]-6-(3-nitrophenyl)-2-phenylpyrimidine IUPAC Name: 4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-6-(3-nitrophenyl)-2-phenylpyrimidine Traditional Name: 4-methyl-5-[(4-methylpiperazino)methyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1CN2CCN(CC2)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1CN2CCN(CC2)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2/c1-17-21(16-27-13-11-26(2)12-14-27)22(19-9-6-10-20(15-19)28(29)30)25-23(24-17)18-7-4-3-5-8-18/h3-10,15H,11-14,16H2,1-2H3