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

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]propionamide Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C21H17N5O2S/c1-25-20-18(13-23-25)21(28)26(14-22-20)10-9-19(27)24-16-5-2-4-15(12-16)7-8-17-6-3-11-29-17/h2-6,11-14H,9-10H2,1H3,(H,24,27)