3-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylbutan-2-one

Systemtic Name: 3-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylbutan-2-one Openeye Name: 3-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylbutan-2-one CAS Name: 3-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]-2-butanone IUPAC Name: 3-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylbutan-2-one Traditional Name: 3-[(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]butan-2-one Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)SC(C)C(=O)C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)SC(C)C(=O)C)C)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3OS/c1-11-10-16(23-14(4)13(3)22)21-18(19-11)17(12(2)20-21)15-8-6-5-7-9-15/h5-10,14H,1-4H3