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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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