9-(3-azanylpropyl)-2-(6-fluoranyl-1H-benzimidazol-2-yl)-7-(oxan-4-yl)purin-8-one

Systemtic Name: 9-(3-azanylpropyl)-2-(6-fluoranyl-1H-benzimidazol-2-yl)-7-(oxan-4-yl)purin-8-one Openeye Name: 9-(3-aminopropyl)-2-(6-fluoro-1H-benzimidazol-2-yl)-7-tetrahydropyran-4-yl-purin-8-one CAS Name: 9-(3-aminopropyl)-2-(6-fluoro-1H-benzimidazol-2-yl)-7-(4-oxanyl)-8-purinone IUPAC Name: 9-(3-aminopropyl)-2-(6-fluoro-1H-benzimidazol-2-yl)-7-(oxan-4-yl)purin-8-one Traditional Name: 9-(3-aminopropyl)-2-(6-fluoro-1H-benzimidazol-2-yl)-7-tetrahydropyran-4-yl-purin-8-one Formula: C20H22FN7O2 MolecularWeight: 411.432783

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C3=CN=C(N=C3N(C2=O)CCCN)C4=NC5=C(N4)C=C(C=C5)F

Isomeric SMILES

C1COCCC1N2C3=CN=C(N=C3N(C2=O)CCCN)C4=NC5=C(N4)C=C(C=C5)F

InChI

InChI=1S/C20H22FN7O2/c21-12-2-3-14-15(10-12)25-18(24-14)17-23-11-16-19(26-17)27(7-1-6-22)20(29)28(16)13-4-8-30-9-5-13/h2-3,10-11,13H,1,4-9,22H2,(H,24,25)