2-[4-(ethylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[4-(ethylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[4-(ethylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[4-(ethylamino)-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[4-(ethylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[4-(ethylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-phenyl-ethanone Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCNC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5OS/c1-2-22-19-17-13-23-26(16-11-7-4-8-12-16)20(17)25-21(24-19)28-14-18(27)15-9-5-3-6-10-15/h3-13H,2,14H2,1H3,(H,22,24,25)