N-(cyclopropylmethyl)-3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(cyclopropylmethyl)-3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(cyclopropylmethyl)-3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(cyclopropylmethyl)-3-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(cyclopropylmethyl)-3-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(cyclopropylmethyl)-3-[[(4-ethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzamide 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)NCC3CC3)N4CCCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3CC3)N4CCCC4

InChI

InChI=1S/C22H28N4OS/c1-2-19-13-20(26-10-3-4-11-26)25-22(24-19)28-15-17-6-5-7-18(12-17)21(27)23-14-16-8-9-16/h5-7,12-13,16H,2-4,8-11,14-15H2,1H3,(H,23,27)