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

Systemtic Name: 7-(4-bromanylbutyl)-2-[(3,4-dichlorophenyl)methylamino]-3H-purin-6-one Openeye Name: 7-(4-bromobutyl)-2-[(3,4-dichlorophenyl)methylamino]-3H-purin-6-one CAS Name: 7-(4-bromobutyl)-2-[(3,4-dichlorophenyl)methylamino]-3H-purin-6-one IUPAC Name: 7-(4-bromobutyl)-2-[(3,4-dichlorophenyl)methylamino]-3H-purin-6-one Traditional Name: 7-(4-bromobutyl)-2-[(3,4-dichlorobenzyl)amino]-3H-purin-6-one Formula: C16H16BrCl2N5O MolecularWeight: 445.14114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=NC(=O)C3=C(N2)N=CN3CCCCBr)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CNC2=NC(=O)C3=C(N2)N=CN3CCCCBr)Cl)Cl

InChI

InChI=1S/C16H16BrCl2N5O/c17-5-1-2-6-24-9-21-14-13(24)15(25)23-16(22-14)20-8-10-3-4-11(18)12(19)7-10/h3-4,7,9H,1-2,5-6,8H2,(H2,20,22,23,25)