1-(4-chlorophenyl)-6-pentylsulfanyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(4-chlorophenyl)-6-pentylsulfanyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(4-chlorophenyl)-6-pentylsulfanyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-chlorophenyl)-6-(pentylthio)-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-chlorophenyl)-6-pentylsulfanyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(amylthio)-1-(4-chlorophenyl)-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C16H21ClN4OS MolecularWeight: 352.88214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1NC2C(=CNN2C3=CC=C(C=C3)Cl)C(=O)N1

Isomeric SMILES

CCCCCSC1NC2C(=CNN2C3=CC=C(C=C3)Cl)C(=O)N1

InChI

InChI=1S/C16H21ClN4OS/c1-2-3-4-9-23-16-19-14-13(15(22)20-16)10-18-21(14)12-7-5-11(17)6-8-12/h5-8,10,14,16,18-19H,2-4,9H2,1H3,(H,20,22)