[3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-[[(4-ethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]phenyl]-pyrrolidino-methanone Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCCC3)N4CCCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCCC3)N4CCCC4

InChI

InChI=1S/C22H28N4OS/c1-2-19-15-20(25-10-3-4-11-25)24-22(23-19)28-16-17-8-7-9-18(14-17)21(27)26-12-5-6-13-26/h7-9,14-15H,2-6,10-13,16H2,1H3