(2S)-1-morpholin-4-yl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one

Systemtic Name: (2S)-1-morpholin-4-yl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one Openeye Name: (2S)-1-morpholino-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one CAS Name: (2S)-1-(4-morpholinyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-propanone IUPAC Name: (2S)-1-morpholin-4-yl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropan-1-one Traditional Name: (2S)-1-morpholino-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propan-1-one Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CCOCC1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H19N5O2S/c1-13(18(24)22-7-9-25-10-8-22)26-17-15-11-21-23(16(15)19-12-20-17)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3/t13-/m0/s1