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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2,3-dihydrobenzofuran-5-ylmethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2,3-dihydrobenzofuran-5-ylmethyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-nitropyrimidin-4-amine Traditional Name: coumaran-5-ylmethyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C25H26N6O5 MolecularWeight: 490.51114

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1COC2=C1C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H26N6O5/c32-31(33)23-24(26-13-17-1-3-20-19(11-17)5-10-34-20)27-15-28-25(23)30-8-6-29(7-9-30)14-18-2-4-21-22(12-18)36-16-35-21/h1-4,11-12,15H,5-10,13-14,16H2,(H,26,27,28)