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

Systemtic Name: 2-[6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-5-pyrazolo[4,3-d]pyrimidinyl]thio]-N-phenylacetamide IUPAC Name: 2-[6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[6-(4-chlorobenzyl)-2-ethyl-7-keto-pyrazolo[4,3-d]pyrimidin-5-yl]thio]-N-phenyl-acetamide Formula: C22H20ClN5O2S MolecularWeight: 453.9445

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN5O2S/c1-2-27-13-18-20(26-27)21(30)28(12-15-8-10-16(23)11-9-15)22(25-18)31-14-19(29)24-17-6-4-3-5-7-17/h3-11,13H,2,12,14H2,1H3,(H,24,29)