1-(3,4-dimethylphenyl)-6-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(3,4-dimethylphenyl)-6-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(3,4-dimethylphenyl)-6-(2-morpholino-2-oxo-ethyl)sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3,4-dimethylphenyl)-6-[[2-(4-morpholinyl)-2-oxoethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(3,4-dimethylphenyl)-6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(3,4-dimethylphenyl)-6-[(2-keto-2-morpholino-ethyl)thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)N4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)N4CCOCC4)C

InChI

InChI=1S/C19H21N5O3S/c1-12-3-4-14(9-13(12)2)24-17-15(10-20-24)18(26)22-19(21-17)28-11-16(25)23-5-7-27-8-6-23/h3-4,9-10,20H,5-8,11H2,1-2H3