ethyl 4-[[6-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[[2-(dimethylamino)-2-oxo-ethyl]amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[[2-(dimethylamino)-2-oxoethyl]amino]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-[[2-(dimethylamino)-2-oxoethyl]amino]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-[[2-(dimethylamino)-2-keto-ethyl]amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C16H25N7O5 MolecularWeight: 395.4136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCC(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCC(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H25N7O5/c1-4-28-16(25)22-7-5-11(6-8-22)20-15-13(23(26)27)14(18-10-19-15)17-9-12(24)21(2)3/h10-11H,4-9H2,1-3H3,(H2,17,18,19,20)