4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C18H20N8O2 MolecularWeight: 380.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-])C

InChI

InChI=1S/C18H20N8O2/c1-13-11-14(2)25(22-13)18-16(26(27)28)17(20-12-21-18)24-9-7-23(8-10-24)15-5-3-4-6-19-15/h3-6,11-12H,7-10H2,1-2H3