1,7-dimethyl-6-oxidanylidene-8-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]purin-2-olate

Systemtic Name: 1,7-dimethyl-6-oxidanylidene-8-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]purin-2-olate Openeye Name: 8-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]-1,7-dimethyl-6-oxo-purin-2-olate CAS Name: 8-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1,7-dimethyl-6-oxo-2-purinolate IUPAC Name: 8-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1,7-dimethyl-6-oxopurin-2-olate Traditional Name: 8-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]-6-keto-1,7-dimethyl-purin-2-olate Formula: C15H16N5O3- MolecularWeight: 314.31924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC(C3=CC=CC=C3)O)N=C(N(C2=O)C)[O-]

Isomeric SMILES

CN1C2=C(N=C1NC[C@@H](C3=CC=CC=C3)O)N=C(N(C2=O)C)[O-]

InChI

InChI=1S/C15H17N5O3/c1-19-11-12(18-15(23)20(2)13(11)22)17-14(19)16-8-10(21)9-6-4-3-5-7-9/h3-7,10,21H,8H2,1-2H3,(H,16,17)(H,18,23)/p-1/t10-/m0/s1