2-azanyl-1-(2-phenoxyethanoyl)-7H-purin-6-one

Systemtic Name: 2-azanyl-1-(2-phenoxyethanoyl)-7H-purin-6-one Openeye Name: 2-amino-1-(2-phenoxyacetyl)-7H-purin-6-one CAS Name: 2-amino-1-(1-oxo-2-phenoxyethyl)-7H-purin-6-one IUPAC Name: 2-amino-1-(2-phenoxyacetyl)-7H-purin-6-one Traditional Name: 2-amino-1-(2-phenoxyacetyl)-7H-purin-6-one Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)N2C(=O)C3=C(N=CN3)N=C2N

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)N2C(=O)C3=C(N=CN3)N=C2N

InChI

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