N-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-fluorophenyl]-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluorophenyl]-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-5-methyl-piazthiole-4-sulfonamide Formula: C30H34FN9O2S2 MolecularWeight: 635.778463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NSN=C2C=C1)S(=O)(=O)NC3=C(C=C(C=C3)C4=CN(C5=C4C(=NC=N5)N)C6CCC(CC6)N7CCN(CC7)C)F

Isomeric SMILES

CC1=C(C2=NSN=C2C=C1)S(=O)(=O)NC3=C(C=C(C=C3)C4=CN(C5=C4C(=NC=N5)N)C6CCC(CC6)N7CCN(CC7)C)F

InChI

InChI=1S/C30H34FN9O2S2/c1-18-3-9-25-27(36-43-35-25)28(18)44(41,42)37-24-10-4-19(15-23(24)31)22-16-40(30-26(22)29(32)33-17-34-30)21-7-5-20(6-8-21)39-13-11-38(2)12-14-39/h3-4,9-10,15-17,20-21,37H,5-8,11-14H2,1-2H3,(H2,32,33,34)