2-[(3,4-dichlorophenyl)methylamino]-7-(4-methoxybutyl)-3H-purin-6-one

Systemtic Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(4-methoxybutyl)-3H-purin-6-one Openeye Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(4-methoxybutyl)-3H-purin-6-one CAS Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(4-methoxybutyl)-3H-purin-6-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(4-methoxybutyl)-3H-purin-6-one Traditional Name: 2-[(3,4-dichlorobenzyl)amino]-7-(4-methoxybutyl)-3H-purin-6-one Formula: C17H19Cl2N5O2 MolecularWeight: 396.27106

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COCCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H19Cl2N5O2/c1-26-7-3-2-6-24-10-21-15-14(24)16(25)23-17(22-15)20-9-11-4-5-12(18)13(19)8-11/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,20,22,23,25)