8-chloranyl-1,3-dimethyl-7-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]purine-2,6-dione Traditional Name: 8-chloro-7-[3-(2-keto-3H-benzimidazol-1-yl)propyl]-1,3-dimethyl-xanthine Formula: C17H17ClN6O3 MolecularWeight: 388.80828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C17H17ClN6O3/c1-21-13-12(14(25)22(2)17(21)27)24(15(18)20-13)9-5-8-23-11-7-4-3-6-10(11)19-16(23)26/h3-4,6-7H,5,8-9H2,1-2H3,(H,19,26)