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

Systemtic Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-yl-ethanone Openeye Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-morpholino-ethanone CAS Name: 2-[[1-(3-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone Traditional Name: 2-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-1-morpholino-ethanone Formula: C17H16ClN5O2S MolecularWeight: 389.85924

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl

Isomeric SMILES

C1COCCN1C(=O)CSC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C17H16ClN5O2S/c18-12-2-1-3-13(8-12)23-16-14(9-21-23)17(20-11-19-16)26-10-15(24)22-4-6-25-7-5-22/h1-3,8-9,11H,4-7,10H2