3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide

Systemtic Name: 3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide Openeye Name: 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[[2-(2-thienyl)oxazol-4-yl]methyl]propanamide CAS Name: 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[(2-thiophen-2-yl-4-oxazolyl)methyl]propanamide IUPAC Name: 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide Traditional Name: 3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[[2-(2-thienyl)oxazol-4-yl]methyl]propionamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CCC(=O)NCC4=COC(=N4)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CCC(=O)NCC4=COC(=N4)C5=CC=CS5

InChI

InChI=1S/C22H18N6O3S/c29-19(23-11-14-13-31-22(25-14)17-7-4-10-32-17)9-8-18-26-20-16(21(30)27-18)12-24-28(20)15-5-2-1-3-6-15/h1-7,10,12-13,24H,8-9,11H2,(H,23,29)