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

Systemtic Name: ethyl 4-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-[(3,4,5-trimethoxybenzyl)amino]pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C21H28N6O7 MolecularWeight: 476.48302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O7/c1-5-34-21(28)26-8-6-25(7-9-26)20-17(27(29)30)19(23-13-24-20)22-12-14-10-15(31-2)18(33-4)16(11-14)32-3/h10-11,13H,5-9,12H2,1-4H3,(H,22,23,24)