2-(6-aminopurin-9-yl)-1-phenyl-ethanone

Systemtic Name: 2-(6-aminopurin-9-yl)-1-phenyl-ethanone Openeye Name: 2-(6-aminopurin-9-yl)-1-phenyl-ethanone CAS Name: 2-(6-aminopurin-9-yl)-1-phenylethanone IUPAC Name: 2-(6-aminopurin-9-yl)-1-phenylethanone Traditional Name: 2-adenin-9-yl-1-phenyl-ethanone Formula: C13H11N5O MolecularWeight: 253.25934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CN2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C13H11N5O/c14-12-11-13(16-7-15-12)18(8-17-11)6-10(19)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,15,16)