9-[[2-(hydroxymethyl)phenyl]methyl]-3H-purin-6-one

Systemtic Name: 9-[[2-(hydroxymethyl)phenyl]methyl]-3H-purin-6-one Openeye Name: 9-[[2-(hydroxymethyl)phenyl]methyl]-3H-purin-6-one CAS Name: 9-[[2-(hydroxymethyl)phenyl]methyl]-3H-purin-6-one IUPAC Name: 9-[[2-(hydroxymethyl)phenyl]methyl]-3H-purin-6-one Traditional Name: 9-(2-methylolbenzyl)-3H-purin-6-one Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=NC3=C2NC=NC3=O)CO

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=NC3=C2NC=NC3=O)CO

InChI

InChI=1S/C13H12N4O2/c18-6-10-4-2-1-3-9(10)5-17-8-16-11-12(17)14-7-15-13(11)19/h1-4,7-8,18H,5-6H2,(H,14,15,19)