N-(2-methoxyethyl)-4-[(4-phenyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(2-methoxyethyl)-4-[(4-phenyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(2-methoxyethyl)-4-[(4-phenyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(2-methoxyethyl)-4-[[[4-phenyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(2-methoxyethyl)-4-[(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(2-methoxyethyl)-4-[[(4-phenyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzamide Formula: C25H28N4O2S MolecularWeight: 448.58042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

COCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2S/c1-31-16-13-26-24(30)21-11-9-19(10-12-21)18-32-25-27-22(20-7-3-2-4-8-20)17-23(28-25)29-14-5-6-15-29/h2-4,7-12,17H,5-6,13-16,18H2,1H3,(H,26,30)