ethyl 3-[[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(4-isopropylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-nitro-6-(4-propan-2-ylanilino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[(6-cumidino-5-nitro-pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H23N5O4/c1-4-31-22(28)16-6-5-7-18(12-16)26-21-19(27(29)30)20(23-13-24-21)25-17-10-8-15(9-11-17)14(2)3/h5-14H,4H2,1-3H3,(H2,23,24,25,26)