4-[2-[(5-methoxy-2-methyl-phenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid

Systemtic Name: 4-[2-[(5-methoxy-2-methyl-phenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid Openeye Name: 4-[2-(5-methoxy-2-methyl-anilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid CAS Name: 4-[2-(5-methoxy-2-methylanilino)-7-pyrrolo[2,3-d]pyrimidinyl]benzoic acid IUPAC Name: 4-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid Traditional Name: 4-[2-(5-methoxy-2-methyl-anilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC)NC2=NC=C3C=CN(C3=N2)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)OC)NC2=NC=C3C=CN(C3=N2)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H18N4O3/c1-13-3-8-17(28-2)11-18(13)23-21-22-12-15-9-10-25(19(15)24-21)16-6-4-14(5-7-16)20(26)27/h3-12H,1-2H3,(H,26,27)(H,22,23,24)