6-butylsulfanyl-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-butylsulfanyl-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-butylsulfanyl-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(butylthio)-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-butylsulfanyl-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(butylthio)-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C15H20N4OS MolecularWeight: 304.4105

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1NC2C(=CNN2C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CCCCSC1NC2C(=CNN2C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C15H20N4OS/c1-2-3-9-21-15-17-13-12(14(20)18-15)10-16-19(13)11-7-5-4-6-8-11/h4-8,10,13,15-17H,2-3,9H2,1H3,(H,18,20)