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

Systemtic Name: 4-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: 4-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-isobutyl-benzamide CAS Name: 4-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 4-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: 4-[[(4-ethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-isobutyl-benzamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4OS/c1-4-19-13-20(26-11-5-6-12-26)25-22(24-19)28-15-17-7-9-18(10-8-17)21(27)23-14-16(2)3/h7-10,13,16H,4-6,11-12,14-15H2,1-3H3,(H,23,27)