8-diazanyl-3-methyl-7-[(2S)-2-oxidanyl-2-phenyl-ethyl]purine-2,6-dione

Systemtic Name: 8-diazanyl-3-methyl-7-[(2S)-2-oxidanyl-2-phenyl-ethyl]purine-2,6-dione Openeye Name: 8-hydrazino-7-[(2S)-2-hydroxy-2-phenyl-ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-hydrazinyl-7-[(2S)-2-hydroxy-2-phenylethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-hydrazinyl-7-[(2S)-2-hydroxy-2-phenylethyl]-3-methylpurine-2,6-dione Traditional Name: 8-hydrazino-7-[(2S)-2-hydroxy-2-phenyl-ethyl]-3-methyl-xanthine Formula: C14H16N6O3 MolecularWeight: 316.31524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN)CC(C3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN)C[C@H](C3=CC=CC=C3)O

InChI

InChI=1S/C14H16N6O3/c1-19-11-10(12(22)17-14(19)23)20(13(16-11)18-15)7-9(21)8-5-3-2-4-6-8/h2-6,9,21H,7,15H2,1H3,(H,16,18)(H,17,22,23)/t9-/m1/s1