5-(2-chlorophenyl)-6-(1-morpholin-4-yl-1-oxidanylidene-butan-2-yl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(2-chlorophenyl)-6-(1-morpholin-4-yl-1-oxidanylidene-butan-2-yl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(2-chlorophenyl)-6-[1-(morpholine-4-carbonyl)propylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(2-chlorophenyl)-6-[[1-(4-morpholinyl)-1-oxobutan-2-yl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(2-chlorophenyl)-6-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(2-chlorophenyl)-6-[1-(morpholine-4-carbonyl)propylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H20ClN5O3S MolecularWeight: 433.9118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCOCC1)SC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4Cl

Isomeric SMILES

CCC(C(=O)N1CCOCC1)SC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4Cl

InChI

InChI=1S/C19H20ClN5O3S/c1-2-15(18(27)24-7-9-28-10-8-24)29-19-22-16-12(11-21-23-16)17(26)25(19)14-6-4-3-5-13(14)20/h3-6,11,15H,2,7-10H2,1H3,(H,21,23)