6-[(4-chlorophenyl)methyl]-2-ethyl-5-(phenylmethylsulfanyl)pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 6-[(4-chlorophenyl)methyl]-2-ethyl-5-(phenylmethylsulfanyl)pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-benzylsulfanyl-6-[(4-chlorophenyl)methyl]-2-ethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 6-[(4-chlorophenyl)methyl]-2-ethyl-5-(phenylmethylthio)-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 5-benzylsulfanyl-6-[(4-chlorophenyl)methyl]-2-ethylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(benzylthio)-6-(4-chlorobenzyl)-2-ethyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN4OS/c1-2-25-13-18-19(24-25)20(27)26(12-15-8-10-17(22)11-9-15)21(23-18)28-14-16-6-4-3-5-7-16/h3-11,13H,2,12,14H2,1H3