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

Systemtic Name: 1-(4-methylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(p-tolyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(4-methylphenyl)-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-methylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(p-tolyl)-2-[(6-pyrrolidinopyrimidin-4-yl)thio]ethanone Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3OS/c1-13-4-6-14(7-5-13)15(21)11-22-17-10-16(18-12-19-17)20-8-2-3-9-20/h4-7,10,12H,2-3,8-9,11H2,1H3