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

Systemtic Name: 4-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-4-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: 4-[[[4,5-dimethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-4-[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-benzyl-4-[[(4,5-dimethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzamide Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4)C

InChI

InChI=1S/C25H28N4OS/c1-18-19(2)27-25(28-23(18)29-14-6-7-15-29)31-17-21-10-12-22(13-11-21)24(30)26-16-20-8-4-3-5-9-20/h3-5,8-13H,6-7,14-17H2,1-2H3,(H,26,30)