7-[(2S)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-[(2S)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[(2S)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[(2S)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC(COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)C[C@@H](COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C16H17ClN4O4S/c1-19-13-12(14(23)20(2)16(19)24)21(15(26)18-13)7-10(22)8-25-11-5-3-9(17)4-6-11/h3-6,10,22H,7-8H2,1-2H3,(H,18,26)/t10-/m0/s1