ethyl 4-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-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)N1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C23H30N6O6/c1-4-35-23(30)27-9-6-17(7-10-27)26-21-20(29(31)32)22(25-14-24-21)28-8-5-15-11-18(33-2)19(34-3)12-16(15)13-28/h11-12,14,17H,4-10,13H2,1-3H3,(H,24,25,26)