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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-tert-butyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-tert-butyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-tert-butyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-tert-butyl-5-nitropyrimidin-4-amine Traditional Name: tert-butyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H26N6O4/c1-20(2,3)23-18-17(26(27)28)19(22-12-21-18)25-8-6-24(7-9-25)11-14-4-5-15-16(10-14)30-13-29-15/h4-5,10,12H,6-9,11,13H2,1-3H3,(H,21,22,23)