ethyl 5-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C19H17N5O4S/c1-3-28-19(27)15-7-11-6-12(4-5-14(11)29-15)22-16(25)9-24-10-20-17-13(18(24)26)8-21-23(17)2/h4-8,10H,3,9H2,1-2H3,(H,22,25)