1-(7H-purin-6-yl)-3-[2,4,5-tris(chloranyl)phenyl]urea

Systemtic Name: 1-(7H-purin-6-yl)-3-[2,4,5-tris(chloranyl)phenyl]urea Openeye Name: 1-(7H-purin-6-yl)-3-(2,4,5-trichlorophenyl)urea CAS Name: 1-(7H-purin-6-yl)-3-(2,4,5-trichlorophenyl)urea IUPAC Name: 1-(7H-purin-6-yl)-3-(2,4,5-trichlorophenyl)urea Traditional Name: 1-(7H-purin-6-yl)-3-(2,4,5-trichlorophenyl)urea Formula: C12H7Cl3N6O MolecularWeight: 357.58258

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)NC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)NC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H7Cl3N6O/c13-5-1-7(15)8(2-6(5)14)20-12(22)21-11-9-10(17-3-16-9)18-4-19-11/h1-4H,(H3,16,17,18,19,20,21,22)