N-(3,7-dimethylocta-2,6-dienyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(3,7-dimethylocta-2,6-dienyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(3,7-dimethylocta-2,6-dienyl)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-(3,7-dimethylocta-2,6-dienyl)-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(3,7-dimethylocta-2,6-dienyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 3,7-dimethylocta-2,6-dienyl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C23H31N7O2 MolecularWeight: 437.53794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3)C)C

Isomeric SMILES

CC(=CCCC(=CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3)C)C

InChI

InChI=1S/C23H31N7O2/c1-18(2)7-6-8-19(3)10-12-25-22-21(30(31)32)23(27-17-26-22)29-15-13-28(14-16-29)20-9-4-5-11-24-20/h4-5,7,9-11,17H,6,8,12-16H2,1-3H3,(H,25,26,27)