4-[(6-methyl-2-phenyl-5-prop-2-enyl-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 4-[(6-methyl-2-phenyl-5-prop-2-enyl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[(5-allyl-6-methyl-2-phenyl-pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-[(6-methyl-2-phenyl-5-prop-2-enyl-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[(5-allyl-6-methyl-2-phenyl-pyrimidin-4-yl)amino]benzoic acid Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)NC3=CC=C(C=C3)C(=O)O)CC=C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)NC3=CC=C(C=C3)C(=O)O)CC=C

InChI

InChI=1S/C21H19N3O2/c1-3-7-18-14(2)22-19(15-8-5-4-6-9-15)24-20(18)23-17-12-10-16(11-13-17)21(25)26/h3-6,8-13H,1,7H2,2H3,(H,25,26)(H,22,23,24)