3-butyl-8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thio]methyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thio]methyl]-7-ethyl-xanthine Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(O3)C4CC4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(O3)C4CC4)CC

InChI

InChI=1S/C17H22N6O3S/c1-3-5-8-23-13-12(14(24)19-16(23)25)22(4-2)11(18-13)9-27-17-21-20-15(26-17)10-6-7-10/h10H,3-9H2,1-2H3,(H,19,24,25)