2-[6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanylethanamide

Systemtic Name: 2-[6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanylethanamide Openeye Name: 2-[6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide CAS Name: 2-[[6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-5-pyrazolo[4,3-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-[6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide Traditional Name: 2-[[6-(4-chlorobenzyl)-2-ethyl-7-keto-pyrazolo[4,3-d]pyrimidin-5-yl]thio]acetamide Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)N)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)N)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H16ClN5O2S/c1-2-21-8-12-14(20-21)15(24)22(16(19-12)25-9-13(18)23)7-10-3-5-11(17)6-4-10/h3-6,8H,2,7,9H2,1H3,(H2,18,23)