2,5-bis(chloranyl)-4-[4-[1-methyl-6-[3-(4-methylpiperazin-1-yl)propylamino]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide

Systemtic Name: 2,5-bis(chloranyl)-4-[4-[1-methyl-6-[3-(4-methylpiperazin-1-yl)propylamino]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide Openeye Name: 2,5-dichloro-4-[4-[1-methyl-6-[3-(4-methylpiperazin-1-yl)propylamino]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide CAS Name: 2,5-dichloro-4-[4-[1-methyl-6-[3-(4-methyl-1-piperazinyl)propylamino]-3-pyrazolo[3,4-d]pyrimidinyl]phenyl]-3-thiophenesulfonamide IUPAC Name: 2,5-dichloro-4-[4-[1-methyl-6-[3-(4-methylpiperazin-1-yl)propylamino]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide Traditional Name: 2,5-dichloro-4-[4-[1-methyl-6-[3-(4-methylpiperazino)propylamino]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide Formula: C24H28Cl2N8O2S2 MolecularWeight: 595.56752

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC2=NC=C3C(=NN(C3=N2)C)C4=CC=C(C=C4)C5=C(SC(=C5S(=O)(=O)N)Cl)Cl

Isomeric SMILES

CN1CCN(CC1)CCCNC2=NC=C3C(=NN(C3=N2)C)C4=CC=C(C=C4)C5=C(SC(=C5S(=O)(=O)N)Cl)Cl

InChI

InChI=1S/C24H28Cl2N8O2S2/c1-32-10-12-34(13-11-32)9-3-8-28-24-29-14-17-19(31-33(2)23(17)30-24)16-6-4-15(5-7-16)18-20(38(27,35)36)22(26)37-21(18)25/h4-7,14H,3,8-13H2,1-2H3,(H2,27,35,36)(H,28,29,30)