2-[[6-oxidanylidene-7-(phenylmethyl)-3H-purin-2-yl]amino]propanoic acid

Systemtic Name: 2-[[6-oxidanylidene-7-(phenylmethyl)-3H-purin-2-yl]amino]propanoic acid Openeye Name: 2-[(7-benzyl-6-oxo-3H-purin-2-yl)amino]propanoic acid CAS Name: 2-[[6-oxo-7-(phenylmethyl)-3H-purin-2-yl]amino]propanoic acid IUPAC Name: 2-[(7-benzyl-6-oxo-3H-purin-2-yl)amino]propanoic acid Traditional Name: 2-[(7-benzyl-6-keto-3H-purin-2-yl)amino]propionic acid Formula: C15H15N5O3 MolecularWeight: 313.3113

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=NC(=O)C2=C(N1)N=CN2CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)NC1=NC(=O)C2=C(N1)N=CN2CC3=CC=CC=C3

InChI

InChI=1S/C15H15N5O3/c1-9(14(22)23)17-15-18-12-11(13(21)19-15)20(8-16-12)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,22,23)(H2,17,18,19,21)