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

Systemtic Name: N-[3-(1,3-dimethyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]ethanamide Openeye Name: N-[3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]acetamide CAS Name: N-[3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide IUPAC Name: N-[3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide Traditional Name: N-[3-(4-keto-1,3-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]acetamide Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)C)C2=NC(=O)C3=C(NN(C3=N2)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)C)C2=NC(=O)C3=C(NN(C3=N2)C)C

InChI

InChI=1S/C18H21N5O3/c1-5-8-26-14-7-6-12(19-11(3)24)9-13(14)16-20-17-15(18(25)21-16)10(2)22-23(17)4/h6-7,9,22H,5,8H2,1-4H3,(H,19,24)