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

Systemtic Name: 5-[(4-morpholin-4-yl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(4-morpholino-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-(4-morpholinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-morpholino-6-phenyl-pyrimidin-2-yl)thio]methyl]-2-furoate Formula: C20H18N3O4S- MolecularWeight: 396.43962

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(O4)C(=O)[O-]

Isomeric SMILES

C1COCCN1C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(O4)C(=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c24-19(25)17-7-6-15(27-17)13-28-20-21-16(14-4-2-1-3-5-14)12-18(22-20)23-8-10-26-11-9-23/h1-7,12H,8-11,13H2,(H,24,25)/p-1