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

Systemtic Name: 7-[3-(5-azanyl-1,3,4-thiadiazol-2-yl)propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1,3-dimethyl-xanthine Formula: C12H15N7O2S MolecularWeight: 321.3582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC3=NN=C(S3)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC3=NN=C(S3)N

InChI

InChI=1S/C12H15N7O2S/c1-17-9-8(10(20)18(2)12(17)21)19(6-14-9)5-3-4-7-15-16-11(13)22-7/h6H,3-5H2,1-2H3,(H2,13,16)