ethyl 4-(5-nitro-6-phenylazanyl-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(5-nitro-6-phenylazanyl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(6-anilino-5-nitro-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-(6-anilino-5-nitro-4-pyrimidinyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-anilino-5-nitropyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(6-anilino-5-nitro-pyrimidin-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O4/c1-2-27-17(24)22-10-8-21(9-11-22)16-14(23(25)26)15(18-12-19-16)20-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,18,19,20)