1-[4-[[1-[2,6-bis(chloranyl)-4-sulfamoyl-phenyl]-4-oxidanylidene-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]-3-butyl-urea

Systemtic Name: 1-[4-[[1-[2,6-bis(chloranyl)-4-sulfamoyl-phenyl]-4-oxidanylidene-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]-3-butyl-urea Openeye Name: 1-butyl-3-[4-[[1-(2,6-dichloro-4-sulfamoyl-phenyl)-3-isopropyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]urea CAS Name: 1-butyl-3-[4-[[1-(2,6-dichloro-4-sulfamoylphenyl)-4-oxo-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]urea IUPAC Name: 1-butyl-3-[4-[[1-(2,6-dichloro-4-sulfamoylphenyl)-4-oxo-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]urea Traditional Name: 1-butyl-3-[4-[[1-(2,6-dichloro-4-sulfamoyl-phenyl)-3-isopropyl-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]urea Formula: C26H29Cl2N7O4S MolecularWeight: 606.52396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC=C(C=C1)CC2=NC(=O)C3=C(NN(C3=N2)C4=C(C=C(C=C4Cl)S(=O)(=O)N)Cl)C(C)C

Isomeric SMILES

CCCCNC(=O)NC1=CC=C(C=C1)CC2=NC(=O)C3=C(NN(C3=N2)C4=C(C=C(C=C4Cl)S(=O)(=O)N)Cl)C(C)C

InChI

InChI=1S/C26H29Cl2N7O4S/c1-4-5-10-30-26(37)31-16-8-6-15(7-9-16)11-20-32-24-21(25(36)33-20)22(14(2)3)34-35(24)23-18(27)12-17(13-19(23)28)40(29,38)39/h6-9,12-14,34H,4-5,10-11H2,1-3H3,(H2,29,38,39)(H2,30,31,37)