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

Systemtic Name: 1,3-dimethyl-7-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone Formula: C17H20N4O4S MolecularWeight: 376.4301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CN2C3=C(NC2=S)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@@H](CN2C3=C(NC2=S)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C17H20N4O4S/c1-10-4-6-12(7-5-10)25-9-11(22)8-21-13-14(18-16(21)26)19(2)17(24)20(3)15(13)23/h4-7,11,22H,8-9H2,1-3H3,(H,18,26)/t11-/m1/s1