ethyl 4-[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(allylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-(prop-2-enylamino)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(allylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C14H20N6O4 MolecularWeight: 336.3464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N6O4/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/h3,10H,1,4-9H2,2H3,(H,15,16,17)