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

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-(2-ethyl-1-piperidinyl)-5-nitropyrimidine IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-6-(2-ethylpiperidino)-5-nitro-pyrimidine Formula: C23H32N6O2 MolecularWeight: 424.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C23H32N6O2/c1-4-19-9-5-6-11-28(19)23-21(29(30)31)22(24-16-25-23)27-14-12-26(13-15-27)20-10-7-8-17(2)18(20)3/h7-8,10,16,19H,4-6,9,11-15H2,1-3H3