1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-tert-butyl-diazane

Systemtic Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-tert-butyl-diazane Openeye Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-tert-butyl-hydrazine CAS Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-2-tert-butylhydrazine IUPAC Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-tert-butylhydrazine Traditional Name: 1-tert-butyl-2-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]hydrazine Formula: C20H27N7O4 MolecularWeight: 429.47288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)NNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H27N7O4/c1-20(2,3)24-23-18-17(27(28)29)19(22-12-21-18)26-8-6-25(7-9-26)11-14-4-5-15-16(10-14)31-13-30-15/h4-5,10,12,24H,6-9,11,13H2,1-3H3,(H,21,22,23)