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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-(3,5-dimethyl-1-pyrazolyl)-5-nitropyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidine Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C21H23N7O4 MolecularWeight: 437.45182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N7O4/c1-14-9-15(2)27(24-14)21-19(28(29)30)20(22-12-23-21)26-7-5-25(6-8-26)11-16-3-4-17-18(10-16)32-13-31-17/h3-4,9-10,12H,5-8,11,13H2,1-2H3