1-[3-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[[5-chloro-1-(2-methoxyethyl)-2-benzimidazolyl]thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]thio]propyl]-3,7-dimethyl-xanthine Formula: C20H23ClN6O3S MolecularWeight: 462.95302

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=C(N3CCOC)C=CC(=C4)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=C(N3CCOC)C=CC(=C4)Cl

InChI

InChI=1S/C20H23ClN6O3S/c1-24-12-22-17-16(24)18(28)27(20(29)25(17)2)7-4-10-31-19-23-14-11-13(21)5-6-15(14)26(19)8-9-30-3/h5-6,11-12H,4,7-10H2,1-3H3