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

Systemtic Name: ethyl 4-[6-(1-methoxypropan-2-ylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[(2-methoxy-1-methyl-ethyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(1-methoxypropan-2-ylamino)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(1-methoxypropan-2-ylamino)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[(2-methoxy-1-methyl-ethyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C15H24N6O5 MolecularWeight: 368.38826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N6O5/c1-4-26-15(22)20-7-5-19(6-8-20)14-12(21(23)24)13(16-10-17-14)18-11(2)9-25-3/h10-11H,4-9H2,1-3H3,(H,16,17,18)