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

Systemtic Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(4-oxidanylbutyl)-3H-purin-6-one Openeye Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(4-hydroxybutyl)-3H-purin-6-one CAS Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(4-hydroxybutyl)-3H-purin-6-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(4-hydroxybutyl)-3H-purin-6-one Traditional Name: 2-[(3,4-dichlorobenzyl)amino]-7-(4-hydroxybutyl)-3H-purin-6-one Formula: C16H17Cl2N5O2 MolecularWeight: 382.24448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=NC(=O)C3=C(N2)N=CN3CCCCO)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CNC2=NC(=O)C3=C(N2)N=CN3CCCCO)Cl)Cl

InChI

InChI=1S/C16H17Cl2N5O2/c17-11-4-3-10(7-12(11)18)8-19-16-21-14-13(15(25)22-16)23(9-20-14)5-1-2-6-24/h3-4,7,9,24H,1-2,5-6,8H2,(H2,19,21,22,25)