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

Systemtic Name: 7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone Formula: C17H20N4O5S MolecularWeight: 392.4295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5S/c1-19-14-13(15(23)20(2)17(19)24)21(16(27)18-14)8-10(22)9-26-12-6-4-11(25-3)5-7-12/h4-7,10,22H,8-9H2,1-3H3,(H,18,27)