2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide

Systemtic Name: 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: 2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C13H13N7O2S2 MolecularWeight: 363.41802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=NN=C(S3)SCC=C

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=NN=C(S3)SCC=C

InChI

InChI=1S/C13H13N7O2S2/c1-3-4-23-13-18-17-12(24-13)16-9(21)6-20-7-14-10-8(11(20)22)5-15-19(10)2/h3,5,7H,1,4,6H2,2H3,(H,16,17,21)