4-(2-azanyl-7-oxidanylidene-4-phenyl-5H-pyrrolo[3,4-d]pyrimidin-6-yl)butanoic acid

Systemtic Name: 4-(2-azanyl-7-oxidanylidene-4-phenyl-5H-pyrrolo[3,4-d]pyrimidin-6-yl)butanoic acid Openeye Name: 4-(2-amino-7-oxo-4-phenyl-5H-pyrrolo[3,4-d]pyrimidin-6-yl)butanoic acid CAS Name: 4-(2-amino-7-oxo-4-phenyl-5H-pyrrolo[3,4-d]pyrimidin-6-yl)butanoic acid IUPAC Name: 4-(2-amino-7-oxo-4-phenyl-5H-pyrrolo[3,4-d]pyrimidin-6-yl)butanoic acid Traditional Name: 4-(2-amino-7-keto-4-phenyl-5H-pyrrolo[3,4-d]pyrimidin-6-yl)butyric acid Formula: C16H16N4O3 MolecularWeight: 312.32324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(N=C(N=C2C(=O)N1CCCC(=O)O)N)C3=CC=CC=C3

Isomeric SMILES

C1C2=C(N=C(N=C2C(=O)N1CCCC(=O)O)N)C3=CC=CC=C3

InChI

InChI=1S/C16H16N4O3/c17-16-18-13(10-5-2-1-3-6-10)11-9-20(8-4-7-12(21)22)15(23)14(11)19-16/h1-3,5-6H,4,7-9H2,(H,21,22)(H2,17,18,19)