(2S)-2-[[6-oxidanidyl-7-(phenylmethyl)purin-2-yl]amino]propanoate

Systemtic Name: (2S)-2-[[6-oxidanidyl-7-(phenylmethyl)purin-2-yl]amino]propanoate Openeye Name: (2S)-2-[(7-benzyl-6-oxido-purin-2-yl)amino]propanoate CAS Name: (2S)-2-[[6-oxido-7-(phenylmethyl)-2-purinyl]amino]propanoate IUPAC Name: (2S)-2-[(7-benzyl-6-oxidopurin-2-yl)amino]propanoate Traditional Name: (2S)-2-[(7-benzyl-6-oxido-purin-2-yl)amino]propionate Formula: C15H13N5O3-2 MolecularWeight: 311.29542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC1=NC2=C(C(=N1)[O-])N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)[O-])NC1=NC2=C(C(=N1)[O-])N(C=N2)CC3=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)/p-2/t9-/m0/s1