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

Systemtic Name: ethyl 4-[[6-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[4-(2-ethoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[5-nitro-6-(4-o-phenetylpiperazino)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C24H33N7O5 MolecularWeight: 499.56272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C3=C(C(=NC=N3)NC4CCN(CC4)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C3=C(C(=NC=N3)NC4CCN(CC4)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C24H33N7O5/c1-3-35-20-8-6-5-7-19(20)28-13-15-29(16-14-28)23-21(31(33)34)22(25-17-26-23)27-18-9-11-30(12-10-18)24(32)36-4-2/h5-8,17-18H,3-4,9-16H2,1-2H3,(H,25,26,27)