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

Systemtic Name: N-(cyclopropylmethyl)-5-[[4-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: N-(cyclopropylmethyl)-5-[[4-isopropyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: N-(cyclopropylmethyl)-5-[[[4-(4-methyl-1-piperazin-4-iumyl)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-(cyclopropylmethyl)-5-[[4-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Traditional Name: N-(cyclopropylmethyl)-5-[[[4-isopropyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]-2-furamide Formula: C22H32N5O2S+ MolecularWeight: 430.58678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC3CC3)N4CC[NH+](CC4)C

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC3CC3)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H31N5O2S/c1-15(2)18-12-20(27-10-8-26(3)9-11-27)25-22(24-18)30-14-17-6-7-19(29-17)21(28)23-13-16-4-5-16/h6-7,12,15-16H,4-5,8-11,13-14H2,1-3H3,(H,23,28)/p+1