[4-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[4,5-dimethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(4,5-dimethyl-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:

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=C(C=C3)C(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=C(C=C3)C(=O)N4CCCC4)C

InChI

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