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

Systemtic Name: 4-[2-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate Openeye Name: 4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate CAS Name: 4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate IUPAC Name: 4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate Traditional Name: 4-[2-(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate Formula: C15H13N4O3- MolecularWeight: 297.28872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)[O-]

InChI

InChI=1S/C15H14N4O3/c16-15-18-12-11(13(20)19-15)10(7-17-12)6-3-8-1-4-9(5-2-8)14(21)22/h1-2,4-5,7H,3,6H2,(H,21,22)(H4,16,17,18,19,20)/p-1