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

Systemtic Name: 3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]-N-pentan-3-yl-benzenesulfonamide Openeye Name: N-(1-ethylpropyl)-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-pentan-3-ylbenzenesulfonamide IUPAC Name: 3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-pentan-3-ylbenzenesulfonamide Traditional Name: N-(1-ethylpropyl)-3-[[5-methyl-2-[4-(4-methylpiperazino)anilino]pyrimidin-4-yl]amino]benzenesulfonamide Formula: C27H37N7O2S MolecularWeight: 523.69338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NS(=O)(=O)C1=CC=CC(=C1)NC2=NC(=NC=C2C)NC3=CC=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CCC(CC)NS(=O)(=O)C1=CC=CC(=C1)NC2=NC(=NC=C2C)NC3=CC=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C27H37N7O2S/c1-5-21(6-2)32-37(35,36)25-9-7-8-23(18-25)29-26-20(3)19-28-27(31-26)30-22-10-12-24(13-11-22)34-16-14-33(4)15-17-34/h7-13,18-19,21,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)