4-[4-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(2,4-diamino-6-methyl-pyrimidin-5-yl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(2,4-diamino-6-methyl-5-pyrimidinyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(2,4-diamino-6-methylpyrimidin-5-yl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(2,4-diamino-6-methyl-pyrimidin-5-yl)piperazino]benzoic acid Formula: C16H20N6O2 MolecularWeight: 328.369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H20N6O2/c1-10-13(14(17)20-16(18)19-10)22-8-6-21(7-9-22)12-4-2-11(3-5-12)15(23)24/h2-5H,6-9H2,1H3,(H,23,24)(H4,17,18,19,20)