1-(6-azanyl-7H-purin-2-yl)-2-phenoxy-ethanone

Systemtic Name: 1-(6-azanyl-7H-purin-2-yl)-2-phenoxy-ethanone Openeye Name: 1-(6-amino-7H-purin-2-yl)-2-phenoxy-ethanone CAS Name: 1-(6-amino-7H-purin-2-yl)-2-phenoxyethanone IUPAC Name: 1-(6-amino-7H-purin-2-yl)-2-phenoxyethanone Traditional Name: 1-(6-amino-7H-purin-2-yl)-2-phenoxy-ethanone Formula: C13H11N5O2 MolecularWeight: 269.25874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O2/c14-11-10-13(16-7-15-10)18-12(17-11)9(19)6-20-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,14,15,16,17,18)