ethyl 4-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-(5-quinolinylamino)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H21N7O4 MolecularWeight: 423.42524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N7O4/c1-2-31-20(28)26-11-9-25(10-12-26)19-17(27(29)30)18(22-13-23-19)24-16-7-3-6-15-14(16)5-4-8-21-15/h3-8,13H,2,9-12H2,1H3,(H,22,23,24)