2-(5-ethanoyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-(5-ethanoyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(5-acetyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(5-acetyl-6-methyl-2-phenyl-4-pyrimidinyl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(5-acetyl-6-methyl-2-phenyl-pyrimidin-4-yl)thio]-1-pyrrolidino-ethanone Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)N3CCCC3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)N3CCCC3)C(=O)C

InChI

InChI=1S/C19H21N3O2S/c1-13-17(14(2)23)19(25-12-16(24)22-10-6-7-11-22)21-18(20-13)15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-12H2,1-2H3