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

Systemtic Name: 3-methyl-7-[2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-morpholino-purine-2,6-dione CAS Name: 3-methyl-7-[2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl]-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl]-8-morpholino-xanthine Formula: C17H23N7O3S2 MolecularWeight: 437.53962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC(C)CN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NN=C(S1)SCC(C)CN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C17H23N7O3S2/c1-10(9-28-17-21-20-11(2)29-17)8-24-12-13(22(3)16(26)19-14(12)25)18-15(24)23-4-6-27-7-5-23/h10H,4-9H2,1-3H3,(H,19,25,26)