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

Systemtic Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(4-iodanylbutyl)-3H-purin-6-one Openeye Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(4-iodobutyl)-3H-purin-6-one CAS Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(4-iodobutyl)-3H-purin-6-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(4-iodobutyl)-3H-purin-6-one Traditional Name: 2-[(3,4-dichlorobenzyl)amino]-7-(4-iodobutyl)-3H-purin-6-one Formula: C16H16Cl2IN5O MolecularWeight: 492.14161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=NC(=O)C3=C(N2)N=CN3CCCCI)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CNC2=NC(=O)C3=C(N2)N=CN3CCCCI)Cl)Cl

InChI

InChI=1S/C16H16Cl2IN5O/c17-11-4-3-10(7-12(11)18)8-20-16-22-14-13(15(25)23-16)24(9-21-14)6-2-1-5-19/h3-4,7,9H,1-2,5-6,8H2,(H2,20,22,23,25)