methyl 3-(1,3-dimethyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzoate

Systemtic Name: methyl 3-(1,3-dimethyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzoate Openeye Name: methyl 3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzoate CAS Name: 3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxybenzoic acid methyl ester IUPAC Name: methyl 3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxybenzoate Traditional Name: 3-(4-keto-1,3-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzoic acid methyl ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4/c1-5-8-26-13-7-6-11(18(24)25-4)9-12(13)15-19-16-14(17(23)20-15)10(2)21-22(16)3/h6-7,9,21H,5,8H2,1-4H3