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

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N7O2/c1-15-12-16(2)26(23-15)20-18(27(28)29)19(21-14-22-20)25-10-8-24(9-11-25)13-17-6-4-3-5-7-17/h3-7,12,14H,8-11,13H2,1-2H3