N-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-5-bromanyl-thiophene-2-sulfonamide; (Z)-but-2-enedioic acid

Systemtic Name: N-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-5-bromanyl-thiophene-2-sulfonamide; (Z)-but-2-enedioic acid Openeye Name: N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-5-bromo-thiophene-2-sulfonamide; maleic acid CAS Name: N-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-fluorophenyl]-5-bromo-2-thiophenesulfonamide; (Z)-2-butenedioic acid IUPAC Name: N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluorophenyl]-5-bromothiophene-2-sulfonamide; (Z)-but-2-enedioic acid Traditional Name: N-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-5-bromo-thiophene-2-sulfonamide; maleic acid Formula: C39H43BrFN7O14S2 MolecularWeight: 996.829623

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)NS(=O)(=O)C6=CC=C(S6)Br)F.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=NC=N4)N)C(=C3)C5=CC(=C(C=C5)NS(=O)(=O)C6=CC=C(S6)Br)F.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C27H31BrFN7O2S2.3C4H4O4/c1-34-10-12-35(13-11-34)18-3-5-19(6-4-18)36-15-20(25-26(30)31-16-32-27(25)36)17-2-7-22(21(29)14-17)33-40(37,38)24-9-8-23(28)39-24;3*5-3(6)1-2-4(7)8/h2,7-9,14-16,18-19,33H,3-6,10-13H2,1H3,(H2,30,31,32);3*1-2H,(H,5,6)(H,7,8)/b;3*2-1-