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

Systemtic Name: N-ethyl-4-[(4-phenyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-ethyl-4-[(4-phenyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-ethyl-4-[[[4-phenyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-ethyl-4-[(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-ethyl-4-[[(4-phenyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzamide Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4OS/c1-2-25-23(29)20-12-10-18(11-13-20)17-30-24-26-21(19-8-4-3-5-9-19)16-22(27-24)28-14-6-7-15-28/h3-5,8-13,16H,2,6-7,14-15,17H2,1H3,(H,25,29)