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

Systemtic Name: 5-[(4-morpholin-4-yl-6-propan-2-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(4-isopropyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-(4-morpholinyl)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-isopropyl-6-morpholino-pyrimidin-2-yl)thio]methyl]-2-furoate Formula: C17H20N3O4S- MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)[O-])N3CCOCC3

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)[O-])N3CCOCC3

InChI

InChI=1S/C17H21N3O4S/c1-11(2)13-9-15(20-5-7-23-8-6-20)19-17(18-13)25-10-12-3-4-14(24-12)16(21)22/h3-4,9,11H,5-8,10H2,1-2H3,(H,21,22)/p-1