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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-butoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-butoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(4-butoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-butoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C26H30N6O5 MolecularWeight: 506.5536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H30N6O5/c1-2-3-14-35-21-7-5-20(6-8-21)29-25-24(32(33)34)26(28-17-27-25)31-12-10-30(11-13-31)16-19-4-9-22-23(15-19)37-18-36-22/h4-9,15,17H,2-3,10-14,16,18H2,1H3,(H,27,28,29)