3-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide

Systemtic Name: 3-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide Openeye Name: 3-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide CAS Name: 3-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(3,3-diphenylpropyl)benzamide IUPAC Name: 3-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide Traditional Name: 3-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(3,3-diphenylpropyl)benzamide Formula: C31H31ClN4OS MolecularWeight: 543.12204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCCC(C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCCC(C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C31H31ClN4OS/c32-28-21-29(36-18-7-8-19-36)35-31(34-28)38-22-23-10-9-15-26(20-23)30(37)33-17-16-27(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-6,9-15,20-21,27H,7-8,16-19,22H2,(H,33,37)