9-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one

Systemtic Name: 9-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one Openeye Name: 9-[(2-chloro-6-fluoro-phenyl)methyl]-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one CAS Name: 9-[(2-chloro-6-fluorophenyl)methyl]-2-(3-pyrrolidinylmethylamino)-7H-purin-8-one IUPAC Name: 9-[(2-chloro-6-fluorophenyl)methyl]-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one Traditional Name: 9-(2-chloro-6-fluoro-benzyl)-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one Formula: C17H18ClFN6O MolecularWeight: 376.815823

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CNCC1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C17H18ClFN6O/c18-12-2-1-3-13(19)11(12)9-25-15-14(23-17(25)26)8-22-16(24-15)21-7-10-4-5-20-6-10/h1-3,8,10,20H,4-7,9H2,(H,23,26)(H,21,22,24)