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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-6-(3,5-dimethyl-1-pyrazolyl)-5-nitropyrimidine IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidine Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine Formula: C19H20ClN7O2 MolecularWeight: 413.8608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C19H20ClN7O2/c1-13-10-14(2)26(23-13)19-17(27(28)29)18(21-12-22-19)25-8-6-24(7-9-25)16-5-3-4-15(20)11-16/h3-5,10-12H,6-9H2,1-2H3