4-methyl-9-oxidanylidene-1-(phenylmethyl)imidazo[1,2-a]purine-6-carboxylic acid

Systemtic Name: 4-methyl-9-oxidanylidene-1-(phenylmethyl)imidazo[1,2-a]purine-6-carboxylic acid Openeye Name: 1-benzyl-4-methyl-9-oxo-imidazo[1,2-a]purine-6-carboxylic acid CAS Name: 4-methyl-9-oxo-1-(phenylmethyl)-6-imidazo[1,2-a]purinecarboxylic acid IUPAC Name: 1-benzyl-4-methyl-9-oxoimidazo[1,2-a]purine-6-carboxylic acid Traditional Name: 1-benzyl-9-keto-4-methyl-imidazo[1,2-a]purine-6-carboxylic acid Formula: C16H13N5O3 MolecularWeight: 323.30612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N3C1=NC(=C3)C(=O)O)N(C=N2)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N3C1=NC(=C3)C(=O)O)N(C=N2)CC4=CC=CC=C4

InChI

InChI=1S/C16H13N5O3/c1-19-13-12(14(22)21-8-11(15(23)24)18-16(19)21)20(9-17-13)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,23,24)