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

Systemtic Name: 4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-[4-(3,4-dimethylphenyl)-1-piperazinyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-[4-(3,4-dimethylphenyl)piperazino]-5-nitro-pyrimidine Formula: C27H33N7O2 MolecularWeight: 487.59662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C27H33N7O2/c1-21-8-9-24(18-22(21)2)31-14-16-33(17-15-31)27-25(34(35)36)26(28-20-29-27)32-12-10-30(11-13-32)19-23-6-4-3-5-7-23/h3-9,18,20H,10-17,19H2,1-2H3