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

Systemtic Name: 3-(1-ethyl-3-methyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzenecarbothioamide Openeye Name: 3-(1-ethyl-3-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzenecarbothioamide CAS Name: 3-(1-ethyl-3-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxybenzenecarbothioamide IUPAC Name: 3-(1-ethyl-3-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxybenzenecarbothioamide Traditional Name: 3-(1-ethyl-4-keto-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-thiobenzamide Formula: C18H21N5O2S MolecularWeight: 371.45664

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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)CC)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2S/c1-4-8-25-13-7-6-11(15(19)26)9-12(13)16-20-17-14(18(24)21-16)10(3)22-23(17)5-2/h6-7,9,22H,4-5,8H2,1-3H3,(H2,19,26)