ethanoic acid; 6-methyl-5-piperazin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: ethanoic acid; 6-methyl-5-piperazin-1-yl-pyrimidine-2,4-diamine Openeye Name: acetic acid; 6-methyl-5-piperazin-1-yl-pyrimidine-2,4-diamine CAS Name: acetic acid; 6-methyl-5-(1-piperazinyl)pyrimidine-2,4-diamine IUPAC Name: acetic acid; 6-methyl-5-piperazin-1-ylpyrimidine-2,4-diamine Traditional Name: acetic acid; (2-amino-6-methyl-5-piperazino-pyrimidin-4-yl)amine Formula: C15H28N6O6 MolecularWeight: 388.41942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)N2CCNCC2.CC(=O)O.CC(=O)O.CC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)N2CCNCC2.CC(=O)O.CC(=O)O.CC(=O)O

InChI

InChI=1S/C9H16N6.3C2H4O2/c1-6-7(8(10)14-9(11)13-6)15-4-2-12-3-5-15;3*1-2(3)4/h12H,2-5H2,1H3,(H4,10,11,13,14);3*1H3,(H,3,4)