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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2,4-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2,4-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2,4-dimethoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: (2,4-dimethoxyphenyl)-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C24H26N6O6 MolecularWeight: 494.49984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C24H26N6O6/c1-33-17-4-5-18(20(12-17)34-2)27-23-22(30(31)32)24(26-14-25-23)29-9-7-28(8-10-29)13-16-3-6-19-21(11-16)36-15-35-19/h3-6,11-12,14H,7-10,13,15H2,1-2H3,(H,25,26,27)