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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-ethenoxypropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(3-vinyloxypropyl)pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(3-ethenoxypropyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-ethenoxypropyl)-5-nitropyrimidin-4-amine Traditional Name: [5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-(3-vinyloxypropyl)amine Formula: C21H26N6O5 MolecularWeight: 442.46834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C=COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N6O5/c1-2-30-11-3-6-22-20-19(27(28)29)21(24-14-23-20)26-9-7-25(8-10-26)13-16-4-5-17-18(12-16)32-15-31-17/h2,4-5,12,14H,1,3,6-11,13,15H2,(H,22,23,24)