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

Systemtic Name: 4-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 4-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzoic acid Formula: C17H17N5O2 MolecularWeight: 323.34918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NC(=NC3=C2C=CN3)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CC(C1)NC2=NC(=NC3=C2C=CN3)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C17H17N5O2/c23-16(24)10-4-6-12(7-5-10)20-17-21-14-13(8-9-18-14)15(22-17)19-11-2-1-3-11/h4-9,11H,1-3H2,(H,23,24)(H3,18,19,20,21,22)