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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-piperazin-1-yl-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-piperazin-1-yl-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-6-(1-piperazinyl)pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-piperazin-1-ylpyrimidine Traditional Name: 5-nitro-4-piperazino-6-(4-piperonylpiperazino)pyrimidine Formula: C20H25N7O4 MolecularWeight: 427.457

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C20H25N7O4/c28-27(29)18-19(25-5-3-21-4-6-25)22-13-23-20(18)26-9-7-24(8-10-26)12-15-1-2-16-17(11-15)31-14-30-16/h1-2,11,13,21H,3-10,12,14H2