2-(6-fluoranylbenzimidazol-1-yl)-6-[(3R)-3-fluoranylpyrrolidin-1-yl]-9-(oxan-4-yl)-7H-purin-8-one

Systemtic Name: 2-(6-fluoranylbenzimidazol-1-yl)-6-[(3R)-3-fluoranylpyrrolidin-1-yl]-9-(oxan-4-yl)-7H-purin-8-one Openeye Name: 2-(6-fluorobenzimidazol-1-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]-9-tetrahydropyran-4-yl-7H-purin-8-one CAS Name: 2-(6-fluoro-1-benzimidazolyl)-6-[(3R)-3-fluoro-1-pyrrolidinyl]-9-(4-oxanyl)-7H-purin-8-one IUPAC Name: 2-(6-fluorobenzimidazol-1-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]-9-(oxan-4-yl)-7H-purin-8-one Traditional Name: 2-(6-fluorobenzimidazol-1-yl)-6-[(3R)-3-fluoropyrrolidino]-9-tetrahydropyran-4-yl-7H-purin-8-one Formula: C21H21F2N7O2 MolecularWeight: 441.433946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1F)C2=NC(=NC3=C2NC(=O)N3C4CCOCC4)N5C=NC6=C5C=C(C=C6)F

Isomeric SMILES

C1CN(C[C@@H]1F)C2=NC(=NC3=C2NC(=O)N3C4CCOCC4)N5C=NC6=C5C=C(C=C6)F

InChI

InChI=1S/C21H21F2N7O2/c22-12-1-2-15-16(9-12)29(11-24-15)20-26-18(28-6-3-13(23)10-28)17-19(27-20)30(21(31)25-17)14-4-7-32-8-5-14/h1-2,9,11,13-14H,3-8,10H2,(H,25,31)/t13-/m1/s1