4-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)benzoic acid

Systemtic Name: 4-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)benzoic acid Openeye Name: 4-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)benzoic acid CAS Name: 4-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)benzoic acid IUPAC Name: 4-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)benzoic acid Traditional Name: 4-(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)benzoic acid Formula: C13H10N4O3 MolecularWeight: 270.2435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CNC3=C2C(=O)N=C(N3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CNC3=C2C(=O)N=C(N3)N)C(=O)O

InChI

InChI=1S/C13H10N4O3/c14-13-16-10-9(11(18)17-13)8(5-15-10)6-1-3-7(4-2-6)12(19)20/h1-5H,(H,19,20)(H4,14,15,16,17,18)