1-(3,4-dimethylphenyl)-6-prop-2-enylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(3,4-dimethylphenyl)-6-prop-2-enylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-allylsulfanyl-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3,4-dimethylphenyl)-6-(prop-2-enylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(3,4-dimethylphenyl)-6-prop-2-enylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(allylthio)-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC=C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC=C)C

InChI

InChI=1S/C16H16N4OS/c1-4-7-22-16-18-14-13(15(21)19-16)9-17-20(14)12-6-5-10(2)11(3)8-12/h4-6,8-9,17H,1,7H2,2-3H3