ethyl 4-[5-nitro-6-[(phenylmethyl)-pyridin-2-yl-amino]pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-nitro-6-[(phenylmethyl)-pyridin-2-yl-amino]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-[(phenylmethyl)-(2-pyridinyl)amino]-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C23H25N7O4 MolecularWeight: 463.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N7O4/c1-2-34-23(31)28-14-12-27(13-15-28)21-20(30(32)33)22(26-17-25-21)29(19-10-6-7-11-24-19)16-18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3