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

Systemtic Name: 1,3-dimethyl-7-[[5-(naphthalen-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[5-(2-naphthylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[5-(2-naphthalenylmethylthio)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[[5-(naphthalen-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[[5-(2-naphthylmethylthio)-1,3,4-oxadiazol-2-yl]methyl]xanthine Formula: C21H18N6O3S MolecularWeight: 434.47102

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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=CC5=CC=CC=C5C=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NN=C(O3)SCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C21H18N6O3S/c1-25-18-17(19(28)26(2)21(25)29)27(12-22-18)10-16-23-24-20(30-16)31-11-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,12H,10-11H2,1-2H3