ethyl 4-[5-nitro-6-(propylamino)pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-nitro-6-(propylamino)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-(propylamino)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-(propylamino)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-(propylamino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(propylamino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C14H22N6O4 MolecularWeight: 338.36228

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C14H22N6O4/c1-3-5-15-12-11(20(22)23)13(17-10-16-12)18-6-8-19(9-7-18)14(21)24-4-2/h10H,3-9H2,1-2H3,(H,15,16,17)