2-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[(4-keto-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-(2-thenyl)acetamide Formula: C18H15N5O2S2 MolecularWeight: 397.474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C18H15N5O2S2/c24-15(19-9-13-7-4-8-26-13)11-27-18-21-16-14(10-20-22-16)17(25)23(18)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,19,24)(H,20,22)