1,3-dimethyl-2-oxidanylidene-7-[(2R)-2-oxidanyl-2-phenyl-ethyl]-8-(phenylmethyl)imino-purin-6-olate

Systemtic Name: 1,3-dimethyl-2-oxidanylidene-7-[(2R)-2-oxidanyl-2-phenyl-ethyl]-8-(phenylmethyl)imino-purin-6-olate Openeye Name: 8-benzylimino-7-[(2R)-2-hydroxy-2-phenyl-ethyl]-1,3-dimethyl-2-oxo-purin-6-olate CAS Name: 7-[(2R)-2-hydroxy-2-phenylethyl]-1,3-dimethyl-2-oxo-8-(phenylmethyl)imino-6-purinolate IUPAC Name: 8-benzylimino-7-[(2R)-2-hydroxy-2-phenylethyl]-1,3-dimethyl-2-oxopurin-6-olate Traditional Name: 8-benzylimino-7-[(2R)-2-hydroxy-2-phenyl-ethyl]-2-keto-1,3-dimethyl-purin-6-olate Formula: C22H22N5O3- MolecularWeight: 404.44178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC(=NCC3=CC=CC=C3)N2CC(C4=CC=CC=C4)O)N(C1=O)C)[O-]

Isomeric SMILES

CN1C(=C2C(=NC(=NCC3=CC=CC=C3)N2C[C@@H](C4=CC=CC=C4)O)N(C1=O)C)[O-]

InChI

InChI=1S/C22H23N5O3/c1-25-19-18(20(29)26(2)22(25)30)27(14-17(28)16-11-7-4-8-12-16)21(24-19)23-13-15-9-5-3-6-10-15/h3-12,17,28-29H,13-14H2,1-2H3/p-1/t17-/m0/s1