4-methyl-5-[2-[(4-methylpiperazin-1-yl)methyl]-4-nitro-phenyl]-2-phenyl-pyrimidine

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C2=C(C=C(C=C2)[N+](=O)[O-])CN3CCN(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC=C1C2=C(C=C(C=C2)[N+](=O)[O-])CN3CCN(CC3)C)C4=CC=CC=C4

InChI

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