N-tert-butyl-3-[[5-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-[[5-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N-tert-butyl-3-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N-tert-butyl-3-[[5-methyl-2-[4-[(4-methyl-1-piperazinyl)methyl]anilino]-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N-tert-butyl-3-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N-tert-butyl-3-[[5-methyl-2-[4-[(4-methylpiperazino)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide Formula: C27H37N7O2S MolecularWeight: 523.69338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)CN4CCN(CC4)C

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)CN4CCN(CC4)C

InChI

InChI=1S/C27H37N7O2S/c1-20-18-28-26(30-22-11-9-21(10-12-22)19-34-15-13-33(5)14-16-34)31-25(20)29-23-7-6-8-24(17-23)37(35,36)32-27(2,3)4/h6-12,17-18,32H,13-16,19H2,1-5H3,(H2,28,29,30,31)