3-(2-azanylquinazolin-6-yl)-4-methyl-benzoic acid

Systemtic Name: 3-(2-azanylquinazolin-6-yl)-4-methyl-benzoic acid Openeye Name: 3-(2-aminoquinazolin-6-yl)-4-methyl-benzoic acid CAS Name: 3-(2-amino-6-quinazolinyl)-4-methylbenzoic acid IUPAC Name: 3-(2-aminoquinazolin-6-yl)-4-methylbenzoic acid Traditional Name: 3-(2-aminoquinazolin-6-yl)-4-methyl-benzoic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)C2=CC3=CN=C(N=C3C=C2)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)C2=CC3=CN=C(N=C3C=C2)N

InChI

InChI=1S/C16H13N3O2/c1-9-2-3-11(15(20)21)7-13(9)10-4-5-14-12(6-10)8-18-16(17)19-14/h2-8H,1H3,(H,20,21)(H2,17,18,19)