6-(azetidin-1-yl)-2-(6-chloranylbenzimidazol-1-yl)-9-(oxan-4-yl)-7H-purin-8-one

Systemtic Name: 6-(azetidin-1-yl)-2-(6-chloranylbenzimidazol-1-yl)-9-(oxan-4-yl)-7H-purin-8-one Openeye Name: 6-(azetidin-1-yl)-2-(6-chlorobenzimidazol-1-yl)-9-tetrahydropyran-4-yl-7H-purin-8-one CAS Name: 6-(1-azetidinyl)-2-(6-chloro-1-benzimidazolyl)-9-(4-oxanyl)-7H-purin-8-one IUPAC Name: 6-(azetidin-1-yl)-2-(6-chlorobenzimidazol-1-yl)-9-(oxan-4-yl)-7H-purin-8-one Traditional Name: 6-(azetidin-1-yl)-2-(6-chlorobenzimidazol-1-yl)-9-tetrahydropyran-4-yl-7H-purin-8-one Formula: C20H20ClN7O2 MolecularWeight: 425.8715

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C2=NC(=NC3=C2NC(=O)N3C4CCOCC4)N5C=NC6=C5C=C(C=C6)Cl

Isomeric SMILES

C1CN(C1)C2=NC(=NC3=C2NC(=O)N3C4CCOCC4)N5C=NC6=C5C=C(C=C6)Cl

InChI

InChI=1S/C20H20ClN7O2/c21-12-2-3-14-15(10-12)27(11-22-14)19-24-17(26-6-1-7-26)16-18(25-19)28(20(29)23-16)13-4-8-30-9-5-13/h2-3,10-11,13H,1,4-9H2,(H,23,29)