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

Systemtic Name: 5-[[4-(4-ethylpiperazin-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(4-ethylpiperazin-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(4-ethyl-1-piperazinyl)-6-methyl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(4-ethylpiperazino)-6-methyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C17H22N4O3S MolecularWeight: 362.44658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC(=C2)C)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2)C)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C17H22N4O3S/c1-3-20-6-8-21(9-7-20)15-10-12(2)18-17(19-15)25-11-13-4-5-14(24-13)16(22)23/h4-5,10H,3,6-9,11H2,1-2H3,(H,22,23)