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

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-(3,5-dimethyl-1-pyrazolyl)-5-nitropyrimidine IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidine Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4C(=CC(=N4)C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4C(=CC(=N4)C)C)C

InChI

InChI=1S/C21H25N7O2/c1-14-6-5-7-18(17(14)4)25-8-10-26(11-9-25)20-19(28(29)30)21(23-13-22-20)27-16(3)12-15(2)24-27/h5-7,12-13H,8-11H2,1-4H3