5-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-ethyl-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-ethyl-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCN(CC3)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCN(CC3)CC

InChI

InChI=1S/C18H24N4O3S/c1-3-13-11-16(22-9-7-21(4-2)8-10-22)20-18(19-13)26-12-14-5-6-15(25-14)17(23)24/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,23,24)