5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine; ethanoic acid

Systemtic Name: 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine; ethanoic acid Openeye Name: acetic acid; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine CAS Name: acetic acid; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine IUPAC Name: acetic acid; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine Traditional Name: acetic acid; [2-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-4-yl]amine Formula: C16H21ClN4O4 MolecularWeight: 368.81534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN4.2C2H4O2/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;2*1-2(3)4/h3-6H,2H2,1H3,(H4,14,15,16,17);2*1H3,(H,3,4)