8-azido-3-methyl-7-[(2S)-2-oxidanyl-3-phenylmethoxy-propyl]purine-2,6-dione

Systemtic Name: 8-azido-3-methyl-7-[(2S)-2-oxidanyl-3-phenylmethoxy-propyl]purine-2,6-dione Openeye Name: 8-azido-7-[(2S)-3-benzyloxy-2-hydroxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-azido-7-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-azido-7-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-azido-7-[(2S)-3-benzoxy-2-hydroxy-propyl]-3-methyl-xanthine Formula: C16H17N7O4 MolecularWeight: 371.35068

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N=[N+]=[N-])CC(COCC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N=[N+]=[N-])C[C@@H](COCC3=CC=CC=C3)O

InChI

InChI=1S/C16H17N7O4/c1-22-13-12(14(25)19-16(22)26)23(15(18-13)20-21-17)7-11(24)9-27-8-10-5-3-2-4-6-10/h2-6,11,24H,7-9H2,1H3,(H,19,25,26)/t11-/m0/s1