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

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-(4-methyl-1-piperidinyl)-5-nitropyrimidine IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-6-(4-methylpiperidino)-5-nitro-pyrimidine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC(=C4C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC(=C4C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O2/c1-16-7-9-26(10-8-16)21-20(28(29)30)22(24-15-23-21)27-13-11-25(12-14-27)19-6-4-5-17(2)18(19)3/h4-6,15-16H,7-14H2,1-3H3