N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine; 2-methylpropanoic acid

Systemtic Name: N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine; 2-methylpropanoic acid Openeye Name: N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine; 2-methylpropanoic acid CAS Name: N2-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine; 2-methylpropanoic acid IUPAC Name: 2-N-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine; 2-methylpropanoic acid Traditional Name: (4-amino-5-nitro-pyrimidin-2-yl)-(4-chlorophenyl)amine; isobutyric acid Formula: C14H16ClN5O4 MolecularWeight: 353.76094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)O.C1=CC(=CC=C1NC2=NC=C(C(=N2)N)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C(=O)O.C1=CC(=CC=C1NC2=NC=C(C(=N2)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C10H8ClN5O2.C4H8O2/c11-6-1-3-7(4-2-6)14-10-13-5-8(16(17)18)9(12)15-10;1-3(2)4(5)6/h1-5H,(H3,12,13,14,15);3H,1-2H3,(H,5,6)