5-[4-chloranyl-3-(dimethylaminodiazenyl)phenyl]-6-ethyl-pyrimidine-2,4-diamine; ethanesulfonic acid

Systemtic Name: 5-[4-chloranyl-3-(dimethylaminodiazenyl)phenyl]-6-ethyl-pyrimidine-2,4-diamine; ethanesulfonic acid Openeye Name: 5-[4-chloro-3-(dimethylaminoazo)phenyl]-6-ethyl-pyrimidine-2,4-diamine; ethanesulfonic acid CAS Name: 5-[4-chloro-3-(dimethylaminoazo)phenyl]-6-ethylpyrimidine-2,4-diamine; ethanesulfonic acid IUPAC Name: 5-[4-chloro-3-(dimethylaminodiazenyl)phenyl]-6-ethylpyrimidine-2,4-diamine; ethanesulfonic acid Traditional Name: [2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]azo-dimethyl-amine; esylic acid Formula: C16H24ClN7O3S MolecularWeight: 429.92486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN(C)C.CCS(=O)(=O)O

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN(C)C.CCS(=O)(=O)O

InChI

InChI=1S/C14H18ClN7.C2H6O3S/c1-4-10-12(13(16)19-14(17)18-10)8-5-6-9(15)11(7-8)20-21-22(2)3;1-2-6(3,4)5/h5-7H,4H2,1-3H3,(H4,16,17,18,19);2H2,1H3,(H,3,4,5)