(2-ethyl-6-oxidanylidene-3H-purin-9-yl) 2-azanyl-3-(4-hydroxyphenyl)propanoate

Systemtic Name: (2-ethyl-6-oxidanylidene-3H-purin-9-yl) 2-azanyl-3-(4-hydroxyphenyl)propanoate Openeye Name: (2-ethyl-6-oxo-3H-purin-9-yl) 2-amino-3-(4-hydroxyphenyl)propanoate CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid (2-ethyl-6-oxo-3H-purin-9-yl) ester IUPAC Name: (2-ethyl-6-oxo-3H-purin-9-yl) 2-amino-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid (2-ethyl-6-keto-3H-purin-9-yl) ester Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C2=C(N1)N(C=N2)OC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

CCC1=NC(=O)C2=C(N1)N(C=N2)OC(=O)C(CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C16H17N5O4/c1-2-12-19-14-13(15(23)20-12)18-8-21(14)25-16(24)11(17)7-9-3-5-10(22)6-4-9/h3-6,8,11,22H,2,7,17H2,1H3,(H,19,20,23)