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

Systemtic Name: 3-(1,3-dimethyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzenecarbothioamide Openeye Name: 3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzenecarbothioamide CAS Name: 3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxybenzenecarbothioamide IUPAC Name: 3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxybenzenecarbothioamide Traditional Name: 3-(4-keto-1,3-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-thiobenzamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O2S/c1-4-7-24-12-6-5-10(14(18)25)8-11(12)15-19-16-13(17(23)20-15)9(2)21-22(16)3/h5-6,8,21H,4,7H2,1-3H3,(H2,18,25)