1,3-dimethyl-7-[[5-(quinolin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[[5-(quinolin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[5-(2-quinolylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[5-(2-quinolinylmethylthio)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[[5-(quinolin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[[5-(2-quinolylmethylthio)-1,3,4-oxadiazol-2-yl]methyl]xanthine Formula: C20H17N7O3S MolecularWeight: 435.45908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NN=C(O3)SCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NN=C(O3)SCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C20H17N7O3S/c1-25-17-16(18(28)26(2)20(25)29)27(11-21-17)9-15-23-24-19(30-15)31-10-13-8-7-12-5-3-4-6-14(12)22-13/h3-8,11H,9-10H2,1-2H3