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

Systemtic Name: 4,6-bis[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4,6-bis[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4,6-bis[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4,6-bis[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4,6-bis[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidine Formula: C28H35N7O2 MolecularWeight: 501.6232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=CC(=C5C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=CC(=C5C)C)[N+](=O)[O-])C

InChI

InChI=1S/C28H35N7O2/c1-20-7-5-9-24(22(20)3)31-11-15-33(16-12-31)27-26(35(36)37)28(30-19-29-27)34-17-13-32(14-18-34)25-10-6-8-21(2)23(25)4/h5-10,19H,11-18H2,1-4H3