ethyl 4-[[5-azanyl-2-[(4-ethoxycarbonylphenyl)amino]-6-methyl-pyrimidin-4-yl]amino]benzoate chloride

Systemtic Name: ethyl 4-[[5-azanyl-2-[(4-ethoxycarbonylphenyl)amino]-6-methyl-pyrimidin-4-yl]amino]benzoate chloride Openeye Name: ethyl 4-[[5-amino-2-(4-ethoxycarbonylanilino)-6-methyl-pyrimidin-4-yl]amino]benzoate chloride CAS Name: 4-[[5-amino-2-(4-ethoxycarbonylanilino)-6-methyl-4-pyrimidinyl]amino]benzoic acid ethyl ester chloride IUPAC Name: ethyl 4-[[5-amino-2-(4-ethoxycarbonylanilino)-6-methylpyrimidin-4-yl]amino]benzoate chloride Traditional Name: 4-[[5-amino-2-(4-carbethoxyanilino)-6-methyl-pyrimidin-4-yl]amino]benzoic acid ethyl ester chloride Formula: C23H25ClN5O4- MolecularWeight: 470.9287

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2N)C)NC3=CC=C(C=C3)C(=O)OCC.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2N)C)NC3=CC=C(C=C3)C(=O)OCC.[Cl-]

InChI

InChI=1S/C23H25N5O4.ClH/c1-4-31-21(29)15-6-10-17(11-7-15)26-20-19(24)14(3)25-23(28-20)27-18-12-8-16(9-13-18)22(30)32-5-2;/h6-13H,4-5,24H2,1-3H3,(H2,25,26,27,28);1H/p-1