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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(4-dimethylaminophenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(4-dimethylaminophenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[(4-dimethylaminophenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(4-dimethylaminophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: dimethyl-[4-[[[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amino]methyl]phenyl]amine Formula: C25H29N7O4 MolecularWeight: 491.54226

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H29N7O4/c1-29(2)20-6-3-18(4-7-20)14-26-24-23(32(33)34)25(28-16-27-24)31-11-9-30(10-12-31)15-19-5-8-21-22(13-19)36-17-35-21/h3-8,13,16H,9-12,14-15,17H2,1-2H3,(H,26,27,28)