6-[2,4,5-tris(chloranyl)phenyl]sulfanylpteridine-2,4-diamine

Systemtic Name: 6-[2,4,5-tris(chloranyl)phenyl]sulfanylpteridine-2,4-diamine Openeye Name: 6-(2,4,5-trichlorophenyl)sulfanylpteridine-2,4-diamine CAS Name: 6-[(2,4,5-trichlorophenyl)thio]pteridine-2,4-diamine IUPAC Name: 6-(2,4,5-trichlorophenyl)sulfanylpteridine-2,4-diamine Traditional Name: [2-amino-6-[(2,4,5-trichlorophenyl)thio]pteridin-4-yl]amine Formula: C12H7Cl3N6S MolecularWeight: 373.64818

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)Cl)Cl)SC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

C1=C(C(=CC(=C1Cl)Cl)Cl)SC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C12H7Cl3N6S/c13-4-1-6(15)7(2-5(4)14)22-8-3-18-11-9(19-8)10(16)20-12(17)21-11/h1-3H,(H4,16,17,18,20,21)