N-(phenylmethyl)-5-[(4-phenyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxamide

Systemtic Name: N-(phenylmethyl)-5-[(4-phenyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxamide Openeye Name: N-benzyl-5-[(4-phenyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxamide CAS Name: N-(phenylmethyl)-5-[[[4-phenyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-benzyl-5-[(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxamide Traditional Name: N-benzyl-5-[[(4-phenyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-2-furamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(O4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(O4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2S/c32-26(28-18-20-9-3-1-4-10-20)24-14-13-22(33-24)19-34-27-29-23(21-11-5-2-6-12-21)17-25(30-27)31-15-7-8-16-31/h1-6,9-14,17H,7-8,15-16,18-19H2,(H,28,32)