2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamide Openeye Name: 2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(3-thienylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[2-(3-thiophenylmethylthio)ethyl]acetamide IUPAC Name: 2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide Traditional Name: 2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(3-thenylthio)ethyl]acetamide Formula: C15H17N5O2S2 MolecularWeight: 363.45778

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCCSCC3=CSC=C3

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCCSCC3=CSC=C3

InChI

InChI=1S/C15H17N5O2S2/c1-19-14-12(6-18-19)15(22)20(10-17-14)7-13(21)16-3-5-24-9-11-2-4-23-8-11/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,16,21)