[4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[(2,6-dimethyl-4-pyrimidinyl)thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(2,6-dimethylpyrimidin-4-yl)thio]methyl]phenyl]-pyrrolidino-methanone Formula: C18H21N3OS MolecularWeight: 327.44384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C18H21N3OS/c1-13-11-17(20-14(2)19-13)23-12-15-5-7-16(8-6-15)18(22)21-9-3-4-10-21/h5-8,11H,3-4,9-10,12H2,1-2H3