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

Systemtic Name: 5-[(4-phenyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(4-phenyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-phenyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-phenyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-2-furoate Formula: C20H18N3O3S- MolecularWeight: 380.44022

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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)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(O4)C(=O)[O-]

InChI

InChI=1S/C20H19N3O3S/c24-19(25)17-9-8-15(26-17)13-27-20-21-16(14-6-2-1-3-7-14)12-18(22-20)23-10-4-5-11-23/h1-3,6-9,12H,4-5,10-11,13H2,(H,24,25)/p-1