5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(3,4-dimethylphenyl)-6-(2-morpholinoethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(3,4-dimethylphenyl)-6-[2-(4-morpholinyl)ethylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(3,4-dimethylphenyl)-6-(2-morpholin-4-ylethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(3,4-dimethylphenyl)-6-(2-morpholinoethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCCN4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCCN4CCOCC4)C

InChI

InChI=1S/C19H23N5O2S/c1-13-3-4-15(11-14(13)2)24-18(25)16-12-20-22-17(16)21-19(24)27-10-7-23-5-8-26-9-6-23/h3-4,11-12H,5-10H2,1-2H3,(H,20,22)