6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3,7-dimethylocta-2,6-dienyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3,7-dimethylocta-2,6-dienyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3,7-dimethylocta-2,6-dienyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(3,7-dimethylocta-2,6-dienyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3,7-dimethylocta-2,6-dienyl)-5-nitropyrimidin-4-amine Traditional Name: 3,7-dimethylocta-2,6-dienyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C26H34N6O4 MolecularWeight: 494.58596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C)C

Isomeric SMILES

CC(=CCCC(=CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C)C

InChI

InChI=1S/C26H34N6O4/c1-19(2)5-4-6-20(3)9-10-27-25-24(32(33)34)26(29-17-28-25)31-13-11-30(12-14-31)16-21-7-8-22-23(15-21)36-18-35-22/h5,7-9,15,17H,4,6,10-14,16,18H2,1-3H3,(H,27,28,29)