1-[3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C12H15N7O2S2 MolecularWeight: 353.4232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(S3)N

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(S3)N

InChI

InChI=1S/C12H15N7O2S2/c1-17-6-14-8-7(17)9(20)19(12(21)18(8)2)4-3-5-22-11-16-15-10(13)23-11/h6H,3-5H2,1-2H3,(H2,13,15)