(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-(2-phenyl-1-pyrrolidinyl)methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-(2-phenylpyrrolidino)methanone Formula: C16H16ClN3OS MolecularWeight: 333.83574

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCCC2C3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCCC2C3=CC=CC=C3)Cl

InChI

InChI=1S/C16H16ClN3OS/c1-22-16-18-10-12(17)14(19-16)15(21)20-9-5-8-13(20)11-6-3-2-4-7-11/h2-4,6-7,10,13H,5,8-9H2,1H3