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

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperidino)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H24N6O2/c1-15-12-16(2)26(24-15)21-19(27(28)29)20(22-14-23-21)25-10-8-18(9-11-25)13-17-6-4-3-5-7-17/h3-7,12,14,18H,8-11,13H2,1-2H3