3-azanyl-5-(4-ethylphenyl)-6-(4-methylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-5-(4-ethylphenyl)-6-(4-methylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-amino-5-(4-ethylphenyl)-6-(4-methylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-amino-5-(4-ethylphenyl)-6-[4-(methylthio)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-amino-5-(4-ethylphenyl)-6-(4-methylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-amino-5-(4-ethylphenyl)-6-[4-(methylthio)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NC3=NNC(=C3C2=O)N)C4=CC=C(C=C4)SC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NC3=NNC(=C3C2=O)N)C4=CC=C(C=C4)SC

InChI

InChI=1S/C20H19N5OS/c1-3-12-4-8-14(9-5-12)25-19(13-6-10-15(27-2)11-7-13)22-18-16(20(25)26)17(21)23-24-18/h4-11H,3H2,1-2H3,(H3,21,23,24)