ethyl 4-[[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N6O4/c1-2-33-23(30)17-8-10-18(11-9-17)26-21-20(29(31)32)22(25-16-24-21)28-14-12-27(13-15-28)19-6-4-3-5-7-19/h3-11,16H,2,12-15H2,1H3,(H,24,25,26)