3-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 3-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 3-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 3-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoic acid IUPAC Name: 3-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 3-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C15H14N4O2 MolecularWeight: 282.29726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=NC=N2)NC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=C(NC2=C1C(=NC=N2)NC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C15H14N4O2/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(6-11)15(20)21/h3-7H,1-2H3,(H,20,21)(H2,16,17,18,19)