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

Systemtic Name: 3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]propionamide Formula: C16H21N7O2S2 MolecularWeight: 407.51364

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C(C)(C)C

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C(C)(C)C

InChI

InChI=1S/C16H21N7O2S2/c1-5-26-15-21-20-14(27-15)19-11(24)6-7-22-9-17-12-10(13(22)25)8-18-23(12)16(2,3)4/h8-9H,5-7H2,1-4H3,(H,19,20,24)