2-azanyl-7-(2-oxidanyl-1-phenyl-ethyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-7-(2-oxidanyl-1-phenyl-ethyl)-3H-purin-6-one Openeye Name: 2-amino-7-(2-hydroxy-1-phenyl-ethyl)-3H-purin-6-one CAS Name: 2-amino-7-(2-hydroxy-1-phenylethyl)-3H-purin-6-one IUPAC Name: 2-amino-7-(2-hydroxy-1-phenylethyl)-3H-purin-6-one Traditional Name: 2-amino-7-(2-hydroxy-1-phenyl-ethyl)-3H-purin-6-one Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CO)N2C=NC3=C2C(=O)N=C(N3)N

Isomeric SMILES

C1=CC=C(C=C1)C(CO)N2C=NC3=C2C(=O)N=C(N3)N

InChI

InChI=1S/C13H13N5O2/c14-13-16-11-10(12(20)17-13)18(7-15-11)9(6-19)8-4-2-1-3-5-8/h1-5,7,9,19H,6H2,(H3,14,16,17,20)