8-chloranyl-1,3-dimethyl-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]xanthine Formula: C16H13ClN6O3 MolecularWeight: 372.76582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN6O3/c1-21-12-11(14(24)22(2)16(21)25)23(15(17)18-12)8-10-19-20-13(26-10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3