4-(6-oxidanylidene-2-phenylazanyl-3H-purin-9-yl)butanoic acid

Systemtic Name: 4-(6-oxidanylidene-2-phenylazanyl-3H-purin-9-yl)butanoic acid Openeye Name: 4-(2-anilino-6-oxo-3H-purin-9-yl)butanoic acid CAS Name: 4-(2-anilino-6-oxo-3H-purin-9-yl)butanoic acid IUPAC Name: 4-(2-anilino-6-oxo-3H-purin-9-yl)butanoic acid Traditional Name: 4-(2-anilino-6-keto-3H-purin-9-yl)butyric acid Formula: C15H15N5O3 MolecularWeight: 313.3113

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N(C=N3)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N(C=N3)CCCC(=O)O

InChI

InChI=1S/C15H15N5O3/c21-11(22)7-4-8-20-9-16-12-13(20)18-15(19-14(12)23)17-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,21,22)(H2,17,18,19,23)