1,3-dimethyl-7-[(2S)-2-oxidanyl-3-(thiophen-2-ylmethoxy)propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2S)-2-oxidanyl-3-(thiophen-2-ylmethoxy)propyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(2-thienylmethoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(2-thenyloxy)propyl]-1,3-dimethyl-xanthine Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COCC3=CC=CS3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[C@@H](COCC3=CC=CS3)O

InChI

InChI=1S/C15H18N4O4S/c1-17-13-12(14(21)18(2)15(17)22)19(9-16-13)6-10(20)7-23-8-11-4-3-5-24-11/h3-5,9-10,20H,6-8H2,1-2H3/t10-/m0/s1