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

Systemtic Name: 3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: 3-[[5-methyl-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]amino]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-3-[[5-methyl-2-[4-(4-methylpiperazino)anilino]pyrimidin-4-yl]amino]benzenesulfonamide Formula: C25H33N7O2S MolecularWeight: 495.64022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)C)NC3=CC=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)C)NC3=CC=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C25H33N7O2S/c1-18(2)30-35(33,34)23-7-5-6-21(16-23)27-24-19(3)17-26-25(29-24)28-20-8-10-22(11-9-20)32-14-12-31(4)13-15-32/h5-11,16-18,30H,12-15H2,1-4H3,(H2,26,27,28,29)