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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(cyclopropylmethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(cyclopropylmethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(cyclopropylmethyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(cyclopropylmethyl)-5-nitropyrimidin-4-amine Traditional Name: cyclopropylmethyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C20H24N6O4 MolecularWeight: 412.44236

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H24N6O4/c27-26(28)18-19(21-10-14-1-2-14)22-12-23-20(18)25-7-5-24(6-8-25)11-15-3-4-16-17(9-15)30-13-29-16/h3-4,9,12,14H,1-2,5-8,10-11,13H2,(H,21,22,23)