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

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperidino)-6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidine Formula: C28H34N6O2 MolecularWeight: 486.60856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C28H34N6O2/c1-21-7-6-10-25(22(21)2)31-15-17-33(18-16-31)28-26(34(35)36)27(29-20-30-28)32-13-11-24(12-14-32)19-23-8-4-3-5-9-23/h3-10,20,24H,11-19H2,1-2H3