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

Systemtic Name: 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl]-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl]-8-pyrrolidino-xanthine Formula: C16H21N7O2S2 MolecularWeight: 407.51364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCCCN2C3=C(N=C2N4CCCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NN=C(S1)SCCCN2C3=C(N=C2N4CCCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C16H21N7O2S2/c1-10-19-20-16(27-10)26-9-5-8-23-11-12(21(2)15(25)18-13(11)24)17-14(23)22-6-3-4-7-22/h3-9H2,1-2H3,(H,18,24,25)