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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC(=C4C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC(=C4C)C)[N+](=O)[O-]

InChI

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