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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methyl-5-nitro-N-phenethyl-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methyl-5-nitro-N-phenethyl-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-methyl-5-nitro-N-phenethyl-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methyl-5-nitro-N-phenethylpyrimidin-4-amine Traditional Name: methyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-phenethyl-amine Formula: C25H28N6O4 MolecularWeight: 476.52762

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(CCC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H28N6O4/c1-28(10-9-19-5-3-2-4-6-19)24-23(31(32)33)25(27-17-26-24)30-13-11-29(12-14-30)16-20-7-8-21-22(15-20)35-18-34-21/h2-8,15,17H,9-14,16,18H2,1H3