4-methyl-3-[(6-phenylpyrimidin-4-yl)amino]benzoate

Systemtic Name: 4-methyl-3-[(6-phenylpyrimidin-4-yl)amino]benzoate Openeye Name: 4-methyl-3-[(6-phenylpyrimidin-4-yl)amino]benzoate CAS Name: 4-methyl-3-[(6-phenyl-4-pyrimidinyl)amino]benzoate IUPAC Name: 4-methyl-3-[(6-phenylpyrimidin-4-yl)amino]benzoate Traditional Name: 4-methyl-3-[(6-phenylpyrimidin-4-yl)amino]benzoate Formula: C18H14N3O2- MolecularWeight: 304.32266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O2/c1-12-7-8-14(18(22)23)9-15(12)21-17-10-16(19-11-20-17)13-5-3-2-4-6-13/h2-11H,1H3,(H,22,23)(H,19,20,21)/p-1