ethyl 4-[6-[[4-(2-methylpropoxycarbonyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[[4-(2-methylpropoxycarbonyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(4-isobutoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[4-[2-methylpropoxy(oxo)methyl]anilino]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[4-(2-methylpropoxycarbonyl)anilino]-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(4-isobutoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C22H28N6O6 MolecularWeight: 472.49432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O6/c1-4-33-22(30)27-11-9-26(10-12-27)20-18(28(31)32)19(23-14-24-20)25-17-7-5-16(6-8-17)21(29)34-13-15(2)3/h5-8,14-15H,4,9-13H2,1-3H3,(H,23,24,25)