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

Systemtic Name: 1-[3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C15H18N6O3S MolecularWeight: 362.40682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(O3)C4CC4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(O3)C4CC4

InChI

InChI=1S/C15H18N6O3S/c1-19-8-16-11-10(19)13(22)21(15(23)20(11)2)6-3-7-25-14-18-17-12(24-14)9-4-5-9/h8-9H,3-7H2,1-2H3