(phenylmethyl) 2-azanyl-6-oxidanylidene-3,7-dihydropurine-8-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-6-oxidanylidene-3,7-dihydropurine-8-carboxylate Openeye Name: benzyl 2-amino-6-oxo-3,7-dihydropurine-8-carboxylate CAS Name: 2-amino-6-oxo-3,7-dihydropurine-8-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-6-oxo-3,7-dihydropurine-8-carboxylate Traditional Name: 2-amino-6-keto-3,7-dihydropurine-8-carboxylic acid benzyl ester Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=NC3=C(N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=NC3=C(N2)C(=O)N=C(N3)N

InChI

InChI=1S/C13H11N5O3/c14-13-17-9-8(11(19)18-13)15-10(16-9)12(20)21-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,14,15,16,17,18,19)