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

Systemtic Name: ethyl 5-ethyl-2-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H19N5O4S MolecularWeight: 389.42886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C)C(=O)OCC

InChI

InChI=1S/C17H19N5O4S/c1-4-10-6-11(17(25)26-5-2)15(27-10)20-13(23)8-22-9-18-14-12(16(22)24)7-19-21(14)3/h6-7,9H,4-5,8H2,1-3H3,(H,20,23)