2-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-yl-ethanone Openeye Name: 2-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-morpholino-ethanone CAS Name: 2-[[1-(3,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone Traditional Name: 2-[[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-1-morpholino-ethanone Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)N4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)N4CCOCC4)C

InChI

InChI=1S/C19H21N5O2S/c1-13-3-4-15(9-14(13)2)24-18-16(10-22-24)19(21-12-20-18)27-11-17(25)23-5-7-26-8-6-23/h3-4,9-10,12H,5-8,11H2,1-2H3