1-phenyl-3-[[1-(4-sulfamoylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]thiourea

Systemtic Name: 1-phenyl-3-[[1-(4-sulfamoylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]thiourea Openeye Name: 1-phenyl-3-[[1-(4-sulfamoylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]thiourea CAS Name: 1-phenyl-3-[[1-(4-sulfamoylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]thiourea IUPAC Name: 1-phenyl-3-[[1-(4-sulfamoylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]thiourea Traditional Name: 1-phenyl-3-[[1-(4-sulfamoylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]thiourea Formula: C18H16N8O2S2 MolecularWeight: 440.50204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C18H16N8O2S2/c19-30(27,28)14-8-6-13(7-9-14)26-17-15(10-22-26)16(20-11-21-17)24-25-18(29)23-12-4-2-1-3-5-12/h1-11H,(H2,19,27,28)(H,20,21,24)(H2,23,25,29)