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

Systemtic Name: 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine; 2-(phosphonomethylamino)ethanoic acid Openeye Name: 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine; 2-(phosphonomethylamino)acetic acid CAS Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; 2-(phosphonomethylamino)acetic acid IUPAC Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; 2-(phosphonomethylamino)acetic acid Traditional Name: [2-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-4-yl]amine; 2-(phosphonomethylamino)acetic acid Formula: C15H21ClN5O5P MolecularWeight: 417.784501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN4.C3H8NO5P/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;5-3(6)1-4-2-10(7,8)9/h3-6H,2H2,1H3,(H4,14,15,16,17);4H,1-2H2,(H,5,6)(H2,7,8,9)