3-(1-tert-butyl-6-methyl-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-6-methyl-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-6-methyl-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-6-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(1-tert-butyl-6-methyl-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-6-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]propionamide Formula: C17H23N7O2S2 MolecularWeight: 421.54022

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H23N7O2S2/c1-6-27-16-22-21-15(28-16)20-12(25)7-8-23-10(2)19-13-11(14(23)26)9-18-24(13)17(3,4)5/h9H,6-8H2,1-5H3,(H,20,21,25)