3-[2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylpentane-2,4-dione

Systemtic Name: 3-[2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylpentane-2,4-dione Openeye Name: 3-(6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione CAS Name: 3-[[2,5-dimethyl-3-phenyl-6-(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinyl]thio]pentane-2,4-dione IUPAC Name: 3-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione Traditional Name: 3-[(6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]pentane-2,4-dione Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)SC(C(=O)C)C(=O)C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)SC(C(=O)C)C(=O)C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2S/c1-16-22(15-20-11-7-5-8-12-20)26(32-24(18(3)30)19(4)31)29-25(27-16)23(17(2)28-29)21-13-9-6-10-14-21/h5-14,24H,15H2,1-4H3