4-[(4-chlorophenyl)methylsulfanylmethyl]-2-phenyl-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanylmethyl]-2-phenyl-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[(4-chlorophenyl)methylsulfanylmethyl]-2-phenyl-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[[(4-chlorophenyl)methylthio]methyl]-2-phenyl-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[(4-chlorophenyl)methylsulfanylmethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[[(4-chlorobenzyl)thio]methyl]-2-phenyl-6-pyrrolidino-pyrimidine Formula: C22H22ClN3S MolecularWeight: 395.94818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=C2)CSCC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=C2)CSCC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3S/c23-19-10-8-17(9-11-19)15-27-16-20-14-21(26-12-4-5-13-26)25-22(24-20)18-6-2-1-3-7-18/h1-3,6-11,14H,4-5,12-13,15-16H2