4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,6-dihydro-2H-pyridin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,6-dihydro-2H-pyridin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,6-dihydro-2H-pyridin-1-yl)-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-(3,6-dihydro-2H-pyridin-1-yl)-5-nitropyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,6-dihydro-2H-pyridin-1-yl)-5-nitropyrimidine Traditional Name: 4-(3,6-dihydro-2H-pyridin-1-yl)-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1)C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC=C1)C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4/c28-27(29)19-20(25-6-2-1-3-7-25)22-14-23-21(19)26-10-8-24(9-11-26)13-16-4-5-17-18(12-16)31-15-30-17/h1-2,4-5,12,14H,3,6-11,13,15H2