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

Systemtic Name: 4-(azetidin-1-yl)-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(azetidin-1-yl)-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-(1-azetidinyl)-6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(azetidin-1-yl)-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(azetidin-1-yl)-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O4/c26-25(27)17-18(23-4-1-5-23)20-12-21-19(17)24-8-6-22(7-9-24)11-14-2-3-15-16(10-14)29-13-28-15/h2-3,10,12H,1,4-9,11,13H2