ethyl 4-[6-[(4-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[(4-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(4-methylanilino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(4-methylanilino)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(4-methylanilino)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(p-toluidino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O4/c1-3-28-18(25)23-10-8-22(9-11-23)17-15(24(26)27)16(19-12-20-17)21-14-6-4-13(2)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,21)