5-[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-furan-2-carboxamide

Systemtic Name: 5-[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-furan-2-carboxamide Openeye Name: N-isopropyl-5-[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: 5-[[[4-(methoxymethyl)-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]methyl]-N-propan-2-yl-2-furancarboxamide IUPAC Name: 5-[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide Traditional Name: N-isopropyl-5-[[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]-2-furamide Formula: C20H30N5O3S+ MolecularWeight: 420.5489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=C(O1)CSC2=NC(=CC(=N2)N3CC[NH+](CC3)C)COC

Isomeric SMILES

CC(C)NC(=O)C1=CC=C(O1)CSC2=NC(=CC(=N2)N3CC[NH+](CC3)C)COC

InChI

InChI=1S/C20H29N5O3S/c1-14(2)21-19(26)17-6-5-16(28-17)13-29-20-22-15(12-27-4)11-18(23-20)25-9-7-24(3)8-10-25/h5-6,11,14H,7-10,12-13H2,1-4H3,(H,21,26)/p+1