ethyl 4-[[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[5-nitro-6-[(3,4,5-trimethoxybenzyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H30N6O7 MolecularWeight: 490.5096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCC3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCC3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O7/c1-5-35-22(29)27-8-6-15(7-9-27)26-21-18(28(30)31)20(24-13-25-21)23-12-14-10-16(32-2)19(34-4)17(11-14)33-3/h10-11,13,15H,5-9,12H2,1-4H3,(H2,23,24,25,26)