1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzimidazole

Systemtic Name: 1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzimidazole Openeye Name: 1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzimidazole CAS Name: 1-[6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]benzimidazole IUPAC Name: 1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzimidazole Traditional Name: 1-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]benzimidazole Formula: C23H23N7O2 MolecularWeight: 429.47442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54)C

InChI

InChI=1S/C23H23N7O2/c1-16-6-5-9-19(17(16)2)27-10-12-28(13-11-27)22-21(30(31)32)23(25-14-24-22)29-15-26-18-7-3-4-8-20(18)29/h3-9,14-15H,10-13H2,1-2H3