3-[(4-propan-2-yl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 3-[(4-propan-2-yl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 3-[(4-isopropyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(4-pyridylmethyl)benzamide CAS Name: 3-[[[4-propan-2-yl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 3-[(4-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 3-[[(4-isopropyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(4-pyridylmethyl)benzamide Formula: C25H29N5OS MolecularWeight: 447.59566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC=NC=C3)N4CCCC4

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC=NC=C3)N4CCCC4

InChI

InChI=1S/C25H29N5OS/c1-18(2)22-15-23(30-12-3-4-13-30)29-25(28-22)32-17-20-6-5-7-21(14-20)24(31)27-16-19-8-10-26-11-9-19/h5-11,14-15,18H,3-4,12-13,16-17H2,1-2H3,(H,27,31)