2-azanyl-1-[2,4,5-tris(chloranyl)phenyl]-7H-purin-6-one

Systemtic Name: 2-azanyl-1-[2,4,5-tris(chloranyl)phenyl]-7H-purin-6-one Openeye Name: 2-amino-1-(2,4,5-trichlorophenyl)-7H-purin-6-one CAS Name: 2-amino-1-(2,4,5-trichlorophenyl)-7H-purin-6-one IUPAC Name: 2-amino-1-(2,4,5-trichlorophenyl)-7H-purin-6-one Traditional Name: 2-amino-1-(2,4,5-trichlorophenyl)-7H-purin-6-one Formula: C11H6Cl3N5O MolecularWeight: 330.55724

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)Cl)Cl)N2C(=O)C3=C(N=CN3)N=C2N

Isomeric SMILES

C1=C(C(=CC(=C1Cl)Cl)Cl)N2C(=O)C3=C(N=CN3)N=C2N

InChI

InChI=1S/C11H6Cl3N5O/c12-4-1-6(14)7(2-5(4)13)19-10(20)8-9(17-3-16-8)18-11(19)15/h1-3H,(H2,15,18)(H,16,17)