3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]propanamide

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(3-thienylmethylsulfanyl)phenyl]propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[2-(3-thiophenylmethylthio)phenyl]propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(3-thenylthio)phenyl]propionamide Formula: C20H19N5O2S2 MolecularWeight: 425.52716

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=CC=C3SCC4=CSC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=CC=C3SCC4=CSC=C4

InChI

InChI=1S/C20H19N5O2S2/c1-24-19-15(10-22-24)20(27)25(13-21-19)8-6-18(26)23-16-4-2-3-5-17(16)29-12-14-7-9-28-11-14/h2-5,7,9-11,13H,6,8,12H2,1H3,(H,23,26)