2-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]thiophene-3-carboxamide Formula: C18H14N6O2S2 MolecularWeight: 410.47276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C18H14N6O2S2/c19-15(26)12-6-7-27-18(12)23-14(25)9-28-17-13-8-22-24(16(13)20-10-21-17)11-4-2-1-3-5-11/h1-8,10H,9H2,(H2,19,26)(H,23,25)