5-[(3-chlorophenyl)methylsulfanyl]-2,6-diethyl-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[(3-chlorophenyl)methylsulfanyl]-2,6-diethyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[(3-chlorophenyl)methylsulfanyl]-2,6-diethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[(3-chlorophenyl)methylthio]-2,6-diethyl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 5-[(3-chlorophenyl)methylsulfanyl]-2,6-diethylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[(3-chlorobenzyl)thio]-2,6-diethyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C16H17ClN4OS MolecularWeight: 348.85038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4OS/c1-3-20-9-13-14(19-20)15(22)21(4-2)16(18-13)23-10-11-6-5-7-12(17)8-11/h5-9H,3-4,10H2,1-2H3