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

Systemtic Name: ethyl 4-[[5-nitro-6-[(5-oxidanylidene-5-phenylmethoxy-pentyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[(5-benzyloxy-5-oxo-pentyl)amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[5-nitro-6-[(5-oxo-5-phenylmethoxypentyl)amino]-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-nitro-6-[(5-oxo-5-phenylmethoxypentyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-[(5-benzoxy-5-keto-pentyl)amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C24H32N6O6 MolecularWeight: 500.54748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCCCC(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCCCC(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H32N6O6/c1-2-35-24(32)29-14-11-19(12-15-29)28-23-21(30(33)34)22(26-17-27-23)25-13-7-6-10-20(31)36-16-18-8-4-3-5-9-18/h3-5,8-9,17,19H,2,6-7,10-16H2,1H3,(H2,25,26,27,28)