1-(3-methoxyphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(3-methoxyphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(3-methoxyphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(3-methoxyphenyl)-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(3-methoxyphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(3-methoxyphenyl)-2-[(6-pyrrolidinopyrimidin-4-yl)thio]ethanone Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CSC2=NC=NC(=C2)N3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CSC2=NC=NC(=C2)N3CCCC3

InChI

InChI=1S/C17H19N3O2S/c1-22-14-6-4-5-13(9-14)15(21)11-23-17-10-16(18-12-19-17)20-7-2-3-8-20/h4-6,9-10,12H,2-3,7-8,11H2,1H3