2-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-1,1-dimethyl-diazane

Systemtic Name: 2-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-1,1-dimethyl-diazane Openeye Name: 2-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-1,1-dimethyl-hydrazine CAS Name: 2-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-1,1-dimethylhydrazine IUPAC Name: 2-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-1,1-dimethylhydrazine Traditional Name: 1,1-dimethyl-2-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]hydrazine Formula: C18H23N7O4 MolecularWeight: 401.41972

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H23N7O4/c1-22(2)21-17-16(25(26)27)18(20-11-19-17)24-7-5-23(6-8-24)10-13-3-4-14-15(9-13)29-12-28-14/h3-4,9,11H,5-8,10,12H2,1-2H3,(H,19,20,21)