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

Systemtic Name: ethyl 4-[6-[(1-ethoxycarbonylpiperidin-4-yl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[(1-ethoxycarbonyl-4-piperidyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[(1-ethoxycarbonyl-4-piperidinyl)amino]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[(1-ethoxycarbonylpiperidin-4-yl)amino]-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[(1-carbethoxy-4-piperidyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H29N7O6 MolecularWeight: 451.47686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C19H29N7O6/c1-3-31-18(27)24-7-5-14(6-8-24)22-16-15(26(29)30)17(21-13-20-16)23-9-11-25(12-10-23)19(28)32-4-2/h13-14H,3-12H2,1-2H3,(H,20,21,22)