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

Systemtic Name: 3-methyl-7-[2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-(1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-7-[2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl]-8-piperidino-xanthine Formula: C18H25N7O2S2 MolecularWeight: 435.5668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC(C)CN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NN=C(S1)SCC(C)CN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C18H25N7O2S2/c1-11(10-28-18-22-21-12(2)29-18)9-25-13-14(23(3)17(27)20-15(13)26)19-16(25)24-7-5-4-6-8-24/h11H,4-10H2,1-3H3,(H,20,26,27)