methyl 2-methoxy-5-(2-phenylazanylpyrimidin-4-yl)benzoate

Systemtic Name: methyl 2-methoxy-5-(2-phenylazanylpyrimidin-4-yl)benzoate Openeye Name: methyl 5-(2-anilinopyrimidin-4-yl)-2-methoxy-benzoate CAS Name: 5-(2-anilino-4-pyrimidinyl)-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-(2-anilinopyrimidin-4-yl)-2-methoxybenzoate Traditional Name: 5-(2-anilinopyrimidin-4-yl)-2-methoxy-benzoic acid methyl ester Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NC=C2)NC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NC=C2)NC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H17N3O3/c1-24-17-9-8-13(12-15(17)18(23)25-2)16-10-11-20-19(22-16)21-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,20,21,22)