1-(4-methylsulfanyl-2-phenyl-6-pyrrolidin-1-yl-pyrimidin-5-yl)ethanone

Systemtic Name: 1-(4-methylsulfanyl-2-phenyl-6-pyrrolidin-1-yl-pyrimidin-5-yl)ethanone Openeye Name: 1-(4-methylsulfanyl-2-phenyl-6-pyrrolidin-1-yl-pyrimidin-5-yl)ethanone CAS Name: 1-[4-(methylthio)-2-phenyl-6-(1-pyrrolidinyl)-5-pyrimidinyl]ethanone IUPAC Name: 1-(4-methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone Traditional Name: 1-[4-(methylthio)-2-phenyl-6-pyrrolidino-pyrimidin-5-yl]ethanone Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(N=C1SC)C2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CC(=O)C1=C(N=C(N=C1SC)C2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C17H19N3OS/c1-12(21)14-16(20-10-6-7-11-20)18-15(19-17(14)22-2)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3