6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purine-2-carboxylic acid

Systemtic Name: 6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purine-2-carboxylic acid Openeye Name: 6-amino-9-benzyl-8-oxo-7H-purine-2-carboxylic acid CAS Name: 6-amino-8-oxo-9-(phenylmethyl)-7H-purine-2-carboxylic acid IUPAC Name: 6-amino-9-benzyl-8-oxo-7H-purine-2-carboxylic acid Traditional Name: 6-amino-9-benzyl-8-keto-7H-purine-2-carboxylic acid Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C(=O)O)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C(=O)O)N)NC2=O

InChI

InChI=1S/C13H11N5O3/c14-9-8-11(17-10(16-9)12(19)20)18(13(21)15-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,15,21)(H,19,20)(H2,14,16,17)