2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 7H-purin-6-amine

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 7H-purin-6-amine Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 7H-purin-6-amine CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 7H-purin-6-amine IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 7H-purin-6-amine Traditional Name: 7H-adenine; 2-amino-3-(4-hydroxyphenyl)propionic acid Formula: C14H16N6O3 MolecularWeight: 316.31524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)O.C1=NC2=C(N1)C(=NC=N2)N

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)O.C1=NC2=C(N1)C(=NC=N2)N

InChI

InChI=1S/C9H11NO3.C5H5N5/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;6-4-3-5(9-1-7-3)10-2-8-4/h1-4,8,11H,5,10H2,(H,12,13);1-2H,(H3,6,7,8,9,10)