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

Systemtic Name: 3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethyl]-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethyl]-8-pyrrolidino-xanthine Formula: C15H19N7O2S2 MolecularWeight: 393.48706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C15H19N7O2S2/c1-9-18-19-15(26-9)25-8-7-22-10-11(20(2)14(24)17-12(10)23)16-13(22)21-5-3-4-6-21/h3-8H2,1-2H3,(H,17,23,24)