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

Systemtic Name: 5-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-(diethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-2-furoate Formula: C20H20N3O3S- MolecularWeight: 382.4561

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-3-23(4-2)18-12-16(14-8-6-5-7-9-14)21-20(22-18)27-13-15-10-11-17(26-15)19(24)25/h5-12H,3-4,13H2,1-2H3,(H,24,25)/p-1