5-[[4-(diethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-(diethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(diethylamino)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C(C)C)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C(C)C)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C17H23N3O3S/c1-5-20(6-2)15-9-13(11(3)4)18-17(19-15)24-10-12-7-8-14(23-12)16(21)22/h7-9,11H,5-6,10H2,1-4H3,(H,21,22)