ethyl 4-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H22N6O6 MolecularWeight: 430.41458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O6/c1-2-29-19(26)24-7-5-23(6-8-24)18-16(25(27)28)17(21-11-22-18)20-10-13-3-4-14-15(9-13)31-12-30-14/h3-4,9,11H,2,5-8,10,12H2,1H3,(H,20,21,22)