4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-imidazol-1-yl-5-nitro-pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-imidazol-1-yl-5-nitro-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-imidazol-1-yl-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-(1-imidazolyl)-5-nitropyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-imidazol-1-yl-5-nitropyrimidine Traditional Name: 4-imidazol-1-yl-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C19H19N7O4 MolecularWeight: 409.39866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC(=C4[N+](=O)[O-])N5C=CN=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC(=C4[N+](=O)[O-])N5C=CN=C5

InChI

InChI=1S/C19H19N7O4/c27-26(28)17-18(21-11-22-19(17)25-4-3-20-12-25)24-7-5-23(6-8-24)10-14-1-2-15-16(9-14)30-13-29-15/h1-4,9,11-12H,5-8,10,13H2