methyl 4-[[6-[(4-methylphenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-[(4-methylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(4-methylanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(4-methylanilino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(4-methylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(p-toluidino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H18N4O2 MolecularWeight: 334.37182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC=NC(=C2)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC=NC(=C2)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H18N4O2/c1-13-3-7-15(8-4-13)22-17-11-18(21-12-20-17)23-16-9-5-14(6-10-16)19(24)25-2/h3-12H,1-2H3,(H2,20,21,22,23)