3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzenesulfonic acid

Systemtic Name: 3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzenesulfonic acid Openeye Name: 3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzenesulfonic acid CAS Name: 3-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]benzenesulfonic acid IUPAC Name: 3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzenesulfonic acid Traditional Name: 3-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]besylic acid Formula: C23H23N7O3S MolecularWeight: 477.53882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=CC(=CC=C4)S(=O)(=O)O)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=CC(=CC=C4)S(=O)(=O)O)C5=NC=CC=N5

InChI

InChI=1S/C23H23N7O3S/c31-34(32,33)18-6-3-5-17(15-18)26-22-19-7-1-2-8-20(19)27-21(28-22)16-29-11-13-30(14-12-29)23-24-9-4-10-25-23/h1-10,15H,11-14,16H2,(H,26,27,28)(H,31,32,33)