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

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-6-(4-phenyl-1-piperazinyl)pyrimidine IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-6-(4-phenylpiperazino)pyrimidine Formula: C26H31N7O2 MolecularWeight: 473.57004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H31N7O2/c1-20-7-6-10-23(21(20)2)30-13-17-32(18-14-30)26-24(33(34)35)25(27-19-28-26)31-15-11-29(12-16-31)22-8-4-3-5-9-22/h3-10,19H,11-18H2,1-2H3