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

Systemtic Name: 8-bromanyl-3-methyl-7-[(2R)-2-oxidanyl-3-phenylmethoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-3-benzyloxy-2-hydroxy-propyl]-8-bromo-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-benzoxy-2-hydroxy-propyl]-8-bromo-3-methyl-xanthine Formula: C16H17BrN4O4 MolecularWeight: 409.23458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(COCC3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4O4/c1-20-13-12(14(23)19-16(20)24)21(15(17)18-13)7-11(22)9-25-8-10-5-3-2-4-6-10/h2-6,11,22H,7-9H2,1H3,(H,19,23,24)/t11-/m1/s1