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

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C14H15N7O2S2 MolecularWeight: 377.4446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N7O2S2/c1-3-6-24-14-19-18-13(25-14)17-10(22)4-5-21-8-15-11-9(12(21)23)7-16-20(11)2/h3,7-8H,1,4-6H2,2H3,(H,17,18,22)