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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C22H30N6O2/c1-16-7-6-9-19(18(16)3)25-11-13-26(14-12-25)21-20(28(29)30)22(24-15-23-21)27-10-5-4-8-17(27)2/h6-7,9,15,17H,4-5,8,10-14H2,1-3H3