9-[(2-bromophenyl)methyl]-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one

Systemtic Name: 9-[(2-bromophenyl)methyl]-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one Openeye Name: 9-[(2-bromophenyl)methyl]-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one CAS Name: 9-[(2-bromophenyl)methyl]-2-(3-pyrrolidinylmethylamino)-7H-purin-8-one IUPAC Name: 9-[(2-bromophenyl)methyl]-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one Traditional Name: 9-(2-bromobenzyl)-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one Formula: C17H19BrN6O MolecularWeight: 403.27636

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=CC=CC=C4Br

Isomeric SMILES

C1CNCC1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=CC=CC=C4Br

InChI

InChI=1S/C17H19BrN6O/c18-13-4-2-1-3-12(13)10-24-15-14(22-17(24)25)9-21-16(23-15)20-8-11-5-6-19-7-11/h1-4,9,11,19H,5-8,10H2,(H,22,25)(H,20,21,23)