6-azanyl-2-(hydroxymethyl)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(hydroxymethyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(hydroxymethyl)-7H-purin-8-one CAS Name: 6-amino-2-(hydroxymethyl)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(hydroxymethyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-methylol-7H-purin-8-one Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)CO)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)CO)N)NC2=O

InChI

InChI=1S/C13H13N5O2/c14-11-10-12(16-9(7-19)15-11)18(13(20)17-10)6-8-4-2-1-3-5-8/h1-5,19H,6-7H2,(H,17,20)(H2,14,15,16)