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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[3-(1-imidazolyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: 3-imidazol-1-ylpropyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C22H26N8O4 MolecularWeight: 466.49304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCCCN5C=CN=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCCCN5C=CN=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H26N8O4/c31-30(32)20-21(24-4-1-6-28-7-5-23-15-28)25-14-26-22(20)29-10-8-27(9-11-29)13-17-2-3-18-19(12-17)34-16-33-18/h2-3,5,7,12,14-15H,1,4,6,8-11,13,16H2,(H,24,25,26)