4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-5-nitro-6-(4-phenyl-1-piperazinyl)pyrimidine IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-(4-phenylpiperazino)pyrimidine Formula: C19H21N7O2 MolecularWeight: 379.41574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N7O2/c1-14-12-15(2)25(22-14)19-17(26(27)28)18(20-13-21-19)24-10-8-23(9-11-24)16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3