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

Systemtic Name: 2-[6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-cyclopentyl-ethanamide Openeye Name: 2-[6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-cyclopentyl-acetamide CAS Name: 2-[[6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-5-pyrazolo[4,3-d]pyrimidinyl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-cyclopentylacetamide Traditional Name: 2-[[6-(4-chlorobenzyl)-2-ethyl-7-keto-pyrazolo[4,3-d]pyrimidin-5-yl]thio]-N-cyclopentyl-acetamide Formula: C21H24ClN5O2S MolecularWeight: 445.96556

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3CCCC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3CCCC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H24ClN5O2S/c1-2-26-12-17-19(25-26)20(29)27(11-14-7-9-15(22)10-8-14)21(24-17)30-13-18(28)23-16-5-3-4-6-16/h7-10,12,16H,2-6,11,13H2,1H3,(H,23,28)