2-[(3,4-dichlorophenyl)methylamino]-7-(5-oxidanylpentyl)-3H-purin-6-one

Systemtic Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-oxidanylpentyl)-3H-purin-6-one Openeye Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-hydroxypentyl)-3H-purin-6-one CAS Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-hydroxypentyl)-3H-purin-6-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-hydroxypentyl)-3H-purin-6-one Traditional Name: 2-[(3,4-dichlorobenzyl)amino]-7-(5-hydroxypentyl)-3H-purin-6-one Formula: C17H19Cl2N5O2 MolecularWeight: 396.27106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=NC(=O)C3=C(N2)N=CN3CCCCCO)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CNC2=NC(=O)C3=C(N2)N=CN3CCCCCO)Cl)Cl

InChI

InChI=1S/C17H19Cl2N5O2/c18-12-5-4-11(8-13(12)19)9-20-17-22-15-14(16(26)23-17)24(10-21-15)6-2-1-3-7-25/h4-5,8,10,25H,1-3,6-7,9H2,(H2,20,22,23,26)