N-[3-(1,3-dimethyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-(1,3-dimethyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]thiophene-2-carboxamide Openeye Name: N-[3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]thiophene-2-carboxamide CAS Name: N-[3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxyphenyl]thiophene-2-carboxamide Traditional Name: N-[3-(4-keto-1,3-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]thiophene-2-carboxamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)C3=NC(=O)C4=C(NN(C4=N3)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)C3=NC(=O)C4=C(NN(C4=N3)C)C

InChI

InChI=1S/C21H21N5O3S/c1-4-9-29-15-8-7-13(22-20(27)16-6-5-10-30-16)11-14(15)18-23-19-17(21(28)24-18)12(2)25-26(19)3/h5-8,10-11,25H,4,9H2,1-3H3,(H,22,27)