2-[[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]methyl]phenol

Systemtic Name: 2-[[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]methyl]phenol Openeye Name: 2-[[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]methyl]phenol CAS Name: 2-[[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-methylamino]methyl]phenol IUPAC Name: 2-[[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-methylamino]methyl]phenol Traditional Name: 2-[[methyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amino]methyl]phenol Formula: C24H26N6O5 MolecularWeight: 478.50044

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1O)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(CC1=CC=CC=C1O)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N6O5/c1-27(14-18-4-2-3-5-19(18)31)23-22(30(32)33)24(26-15-25-23)29-10-8-28(9-11-29)13-17-6-7-20-21(12-17)35-16-34-20/h2-7,12,15,31H,8-11,13-14,16H2,1H3