9-[(2,4-dichlorophenyl)methyl]-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one

Systemtic Name: 9-[(2,4-dichlorophenyl)methyl]-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one Openeye Name: 9-[(2,4-dichlorophenyl)methyl]-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one CAS Name: 9-[(2,4-dichlorophenyl)methyl]-2-(3-pyrrolidinylmethylamino)-7H-purin-8-one IUPAC Name: 9-[(2,4-dichlorophenyl)methyl]-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one Traditional Name: 9-(2,4-dichlorobenzyl)-2-(pyrrolidin-3-ylmethylamino)-7H-purin-8-one Formula: C17H18Cl2N6O MolecularWeight: 393.27042

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CNCC1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C17H18Cl2N6O/c18-12-2-1-11(13(19)5-12)9-25-15-14(23-17(25)26)8-22-16(24-15)21-7-10-3-4-20-6-10/h1-2,5,8,10,20H,3-4,6-7,9H2,(H,23,26)(H,21,22,24)