5-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-(4-ethyl-1-piperazin-4-iumyl)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-(4-ethylpiperazin-4-ium-1-yl)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-(4-ethylpiperazin-4-ium-1-yl)-6-isopropyl-pyrimidin-2-yl]thio]methyl]-2-furoate Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=NC(=C2)C(C)C)SCC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=NC(=C2)C(C)C)SCC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C19H26N4O3S/c1-4-22-7-9-23(10-8-22)17-11-15(13(2)3)20-19(21-17)27-12-14-5-6-16(26-14)18(24)25/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,24,25)