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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C18H17N7O2S2 MolecularWeight: 427.50328

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H17N7O2S2/c1-2-28-18-23-22-17(29-18)21-14(26)8-9-24-11-19-15-13(16(24)27)10-20-25(15)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,21,22,26)