2-[3-methyl-2-oxidanidyl-6-oxidanylidene-8-[[(1S)-1-phenylethyl]amino]purin-7-yl]ethanoate

Systemtic Name: 2-[3-methyl-2-oxidanidyl-6-oxidanylidene-8-[[(1S)-1-phenylethyl]amino]purin-7-yl]ethanoate Openeye Name: 2-[3-methyl-2-oxido-6-oxo-8-[[(1S)-1-phenylethyl]amino]purin-7-yl]acetate CAS Name: 2-[3-methyl-2-oxido-6-oxo-8-[[(1S)-1-phenylethyl]amino]-7-purinyl]acetate IUPAC Name: 2-[3-methyl-2-oxido-6-oxo-8-[[(1S)-1-phenylethyl]amino]purin-7-yl]acetate Traditional Name: 2-[6-keto-3-methyl-2-oxido-8-[[(1S)-1-phenylethyl]amino]purin-7-yl]acetate Formula: C16H15N5O4-2 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC3=C(N2CC(=O)[O-])C(=O)N=C(N3C)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC2=NC3=C(N2CC(=O)[O-])C(=O)N=C(N3C)[O-]

InChI

InChI=1S/C16H17N5O4/c1-9(10-6-4-3-5-7-10)17-15-18-13-12(21(15)8-11(22)23)14(24)19-16(25)20(13)2/h3-7,9H,8H2,1-2H3,(H,17,18)(H,22,23)(H,19,24,25)/p-2/t9-/m0/s1