2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 3,7-dihydropurin-6-one

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 3,7-dihydropurin-6-one Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 3,7-dihydropurin-6-one CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 3,7-dihydropurin-6-one IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 3,7-dihydropurin-6-one Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid; 3,7-dihydropurin-6-one Formula: C14H15N5O4 MolecularWeight: 317.3

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)O.C1=NC2=C(N1)C(=O)N=CN2

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)O.C1=NC2=C(N1)C(=O)N=CN2

InChI

InChI=1S/C9H11NO3.C5H4N4O/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;10-5-3-4(7-1-6-3)8-2-9-5/h1-4,8,11H,5,10H2,(H,12,13);1-2H,(H2,6,7,8,9,10)