ethanesulfonic acid; 5-[2,3,5-tris(chloranyl)phenyl]pyrimidine-2,4-diamine

Systemtic Name: ethanesulfonic acid; 5-[2,3,5-tris(chloranyl)phenyl]pyrimidine-2,4-diamine Openeye Name: ethanesulfonic acid; 5-(2,3,5-trichlorophenyl)pyrimidine-2,4-diamine CAS Name: ethanesulfonic acid; 5-(2,3,5-trichlorophenyl)pyrimidine-2,4-diamine IUPAC Name: ethanesulfonic acid; 5-(2,3,5-trichlorophenyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(2,3,5-trichlorophenyl)pyrimidin-4-yl]amine; esylic acid Formula: C12H13Cl3N4O3S MolecularWeight: 399.68062

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.C1=C(C=C(C(=C1Cl)Cl)C2=CN=C(N=C2N)N)Cl

Isomeric SMILES

CCS(=O)(=O)O.C1=C(C=C(C(=C1Cl)Cl)C2=CN=C(N=C2N)N)Cl

InChI

InChI=1S/C10H7Cl3N4.C2H6O3S/c11-4-1-5(8(13)7(12)2-4)6-3-16-10(15)17-9(6)14;1-2-6(3,4)5/h1-3H,(H4,14,15,16,17);2H2,1H3,(H,3,4,5)