1-(2,4-dimethylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,4-dimethylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(2,4-dimethylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(2,4-dimethylphenyl)-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(2,4-dimethylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(2,4-dimethylphenyl)-2-[(6-pyrrolidinopyrimidin-4-yl)thio]ethanone Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=NC=NC(=C2)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=NC=NC(=C2)N3CCCC3)C

InChI

InChI=1S/C18H21N3OS/c1-13-5-6-15(14(2)9-13)16(22)11-23-18-10-17(19-12-20-18)21-7-3-4-8-21/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3