5-[4-chloranyl-3-(morpholin-4-yldiazenyl)phenyl]-6-ethyl-pyrimidine-2,4-diamine; methanesulfonic acid

Systemtic Name: 5-[4-chloranyl-3-(morpholin-4-yldiazenyl)phenyl]-6-ethyl-pyrimidine-2,4-diamine; methanesulfonic acid Openeye Name: 5-(4-chloro-3-morpholinoazo-phenyl)-6-ethyl-pyrimidine-2,4-diamine; methanesulfonic acid CAS Name: 5-[4-chloro-3-(4-morpholinylazo)phenyl]-6-ethylpyrimidine-2,4-diamine; methanesulfonic acid IUPAC Name: 5-[4-chloro-3-(morpholin-4-yldiazenyl)phenyl]-6-ethylpyrimidine-2,4-diamine; methanesulfonic acid Traditional Name: [2-amino-5-(4-chloro-3-morpholinoazo-phenyl)-6-ethyl-pyrimidin-4-yl]amine; mesylic acid Formula: C17H24ClN7O4S MolecularWeight: 457.93496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN3CCOCC3.CS(=O)(=O)O

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN3CCOCC3.CS(=O)(=O)O

InChI

InChI=1S/C16H20ClN7O.CH4O3S/c1-2-12-14(15(18)21-16(19)20-12)10-3-4-11(17)13(9-10)22-23-24-5-7-25-8-6-24;1-5(2,3)4/h3-4,9H,2,5-8H2,1H3,(H4,18,19,20,21);1H3,(H,2,3,4)