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

Systemtic Name: ethyl 4-[[6-[(2-ethoxy-2-oxidanylidene-ethyl)-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[benzyl-(2-ethoxy-2-oxo-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[(2-ethoxy-2-oxoethyl)-(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-[benzyl-(2-ethoxy-2-oxoethyl)amino]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-[benzyl-(2-ethoxy-2-keto-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C23H30N6O6 MolecularWeight: 486.5209

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C23H30N6O6/c1-3-34-19(30)15-28(14-17-8-6-5-7-9-17)22-20(29(32)33)21(24-16-25-22)26-18-10-12-27(13-11-18)23(31)35-4-2/h5-9,16,18H,3-4,10-15H2,1-2H3,(H,24,25,26)