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

Systemtic Name: 1,3-dimethyl-7-[[5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[5-(4-pyridylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[5-(pyridin-4-ylmethylthio)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[[5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[[5-(4-pyridylmethylthio)-1,3,4-oxadiazol-2-yl]methyl]xanthine Formula: C16H15N7O3S MolecularWeight: 385.4004

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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=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C16H15N7O3S/c1-21-13-12(14(24)22(2)16(21)25)23(9-18-13)7-11-19-20-15(26-11)27-8-10-3-5-17-6-4-10/h3-6,9H,7-8H2,1-2H3