N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propionamide Formula: C20H21N7O2S MolecularWeight: 423.49144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)CCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)CCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C20H21N7O2S/c1-2-3-9-17-25-26-20(30-17)24-16(28)11-10-15-22-18-14(19(29)23-15)12-21-27(18)13-7-5-4-6-8-13/h4-8,12,21H,2-3,9-11H2,1H3,(H,24,26,28)