2-azanyl-9-[3,5-bis(hydroxymethyl)phenyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[3,5-bis(hydroxymethyl)phenyl]-3H-purin-6-one Openeye Name: 2-amino-9-[3,5-bis(hydroxymethyl)phenyl]-3H-purin-6-one CAS Name: 2-amino-9-[3,5-bis(hydroxymethyl)phenyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[3,5-bis(hydroxymethyl)phenyl]-3H-purin-6-one Traditional Name: 2-amino-9-(3,5-dimethylolphenyl)-3H-purin-6-one Formula: C13H13N5O3 MolecularWeight: 287.27402

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1CO)N2C=NC3=C2NC(=NC3=O)N)CO

Isomeric SMILES

C1=C(C=C(C=C1CO)N2C=NC3=C2NC(=NC3=O)N)CO

InChI

InChI=1S/C13H13N5O3/c14-13-16-11-10(12(21)17-13)15-6-18(11)9-2-7(4-19)1-8(3-9)5-20/h1-3,6,19-20H,4-5H2,(H3,14,16,17,21)