4-(2-methyl-6-phenylazanyl-5-prop-2-enyl-pyrimidin-4-yl)benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)NC2=CC=CC=C2)CC=C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC(=C(C(=N1)NC2=CC=CC=C2)CC=C)C3=CC=C(C=C3)C(=O)O

InChI

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