2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[4-(4-nitrophenyl)piperazin-1-yl]pyrimidine

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[4-(4-nitrophenyl)piperazin-1-yl]pyrimidine Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[4-(4-nitrophenyl)piperazin-1-yl]pyrimidine CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-methyl-6-[4-(4-nitrophenyl)-1-piperazinyl]pyrimidine IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[4-(4-nitrophenyl)piperazin-1-yl]pyrimidine Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[4-(4-nitrophenyl)piperazino]pyrimidine Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N7O2/c1-14-13-19(22-20(21-14)26-16(3)12-15(2)23-26)25-10-8-24(9-11-25)17-4-6-18(7-5-17)27(28)29/h4-7,12-13H,8-11H2,1-3H3