3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-8-morpholino-purine-2,6-dione CAS Name: 3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethyl]-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethyl]-8-morpholino-xanthine Formula: C15H19N7O3S2 MolecularWeight: 409.48646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C15H19N7O3S2/c1-9-18-19-15(27-9)26-8-5-22-10-11(20(2)14(24)17-12(10)23)16-13(22)21-3-6-25-7-4-21/h3-8H2,1-2H3,(H,17,23,24)