2-(6-fluoranylbenzimidazol-1-yl)-9-(oxan-4-yl)-6-(3-oxidanylpyrrolidin-1-yl)-7H-purin-8-one

Systemtic Name: 2-(6-fluoranylbenzimidazol-1-yl)-9-(oxan-4-yl)-6-(3-oxidanylpyrrolidin-1-yl)-7H-purin-8-one Openeye Name: 2-(6-fluorobenzimidazol-1-yl)-6-(3-hydroxypyrrolidin-1-yl)-9-tetrahydropyran-4-yl-7H-purin-8-one CAS Name: 2-(6-fluoro-1-benzimidazolyl)-6-(3-hydroxy-1-pyrrolidinyl)-9-(4-oxanyl)-7H-purin-8-one IUPAC Name: 2-(6-fluorobenzimidazol-1-yl)-6-(3-hydroxypyrrolidin-1-yl)-9-(oxan-4-yl)-7H-purin-8-one Traditional Name: 2-(6-fluorobenzimidazol-1-yl)-6-(3-hydroxypyrrolidino)-9-tetrahydropyran-4-yl-7H-purin-8-one Formula: C21H22FN7O3 MolecularWeight: 439.442883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1O)C2=NC(=NC3=C2NC(=O)N3C4CCOCC4)N5C=NC6=C5C=C(C=C6)F

Isomeric SMILES

C1CN(CC1O)C2=NC(=NC3=C2NC(=O)N3C4CCOCC4)N5C=NC6=C5C=C(C=C6)F

InChI

InChI=1S/C21H22FN7O3/c22-12-1-2-15-16(9-12)28(11-23-15)20-25-18(27-6-3-14(30)10-27)17-19(26-20)29(21(31)24-17)13-4-7-32-8-5-13/h1-2,9,11,13-14,30H,3-8,10H2,(H,24,31)