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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]xanthine Formula: C18H17ClN6O3 MolecularWeight: 400.81898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C18H17ClN6O3/c1-23-15-13(16(26)24(2)18(23)27)25(17(19)21-15)10-6-9-12-20-14(22-28-12)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3