4-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(1-phenylethyl)benzamide

Systemtic Name: 4-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(1-phenylethyl)benzamide Openeye Name: 4-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(1-phenylethyl)benzamide CAS Name: 4-[[[4,5-dimethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(1-phenylethyl)benzamide IUPAC Name: 4-[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(1-phenylethyl)benzamide Traditional Name: 4-[[(4,5-dimethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(1-phenylethyl)benzamide Formula: C26H30N4OS MolecularWeight: 446.6076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=C(C=C3)C(=O)NC(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=C(C=C3)C(=O)NC(C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H30N4OS/c1-18-19(2)28-26(29-24(18)30-15-7-8-16-30)32-17-21-11-13-23(14-12-21)25(31)27-20(3)22-9-5-4-6-10-22/h4-6,9-14,20H,7-8,15-17H2,1-3H3,(H,27,31)