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

Systemtic Name: 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-(1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl]-8-piperidino-xanthine Formula: C17H23N7O2S2 MolecularWeight: 421.54022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCCCN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NN=C(S1)SCCCN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C17H23N7O2S2/c1-11-20-21-17(28-11)27-10-6-9-24-12-13(22(2)16(26)19-14(12)25)18-15(24)23-7-4-3-5-8-23/h3-10H2,1-2H3,(H,19,25,26)