1,3-dimethyl-8-[[methyl-[(1S,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]hydrazinylidene]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[methyl-[(1S,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]hydrazinylidene]purine-2,6-dione Openeye Name: 8-[[[(1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]hydrazono]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]hydrazinylidene]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[[[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]hydrazinylidene]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[[(1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]hydrazono]-1,3-dimethyl-xanthine Formula: C17H21N7O3 MolecularWeight: 371.39374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)N(C)NN=C2N=C3C(=N2)N(C(=O)N(C3=O)C)C

Isomeric SMILES

C[C@@H]([C@H](C1=CC=CC=C1)O)N(C)NN=C2N=C3C(=N2)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C17H21N7O3/c1-10(13(25)11-8-6-5-7-9-11)24(4)21-20-16-18-12-14(19-16)22(2)17(27)23(3)15(12)26/h5-10,13,21,25H,1-4H3/t10-,13+/m0/s1