3-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione

Systemtic Name: 3-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione Openeye Name: 3-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione CAS Name: 3-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]pentane-2,4-dione IUPAC Name: 3-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione Traditional Name: 3-[(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]pentane-2,4-dione Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S/c1-11-10-16(25-18(13(3)23)14(4)24)22-19(20-11)17(12(2)21-22)15-8-6-5-7-9-15/h5-10,18H,1-4H3