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

Systemtic Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-pyrrolidino-propan-1-one Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H19N5OS/c1-13(18(24)22-9-5-6-10-22)25-17-15-11-21-23(16(15)19-12-20-17)14-7-3-2-4-8-14/h2-4,7-8,11-13H,5-6,9-10H2,1H3