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

Systemtic Name: N-cyclopropyl-5-[[4-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: N-cyclopropyl-5-[[4-isopropyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: N-cyclopropyl-5-[[[4-(4-methyl-1-piperazin-4-iumyl)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-cyclopropyl-5-[[4-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Traditional Name: N-cyclopropyl-5-[[[4-isopropyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]-2-furamide Formula: C21H30N5O2S+ MolecularWeight: 416.5602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NC3CC3)N4CC[NH+](CC4)C

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NC3CC3)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H29N5O2S/c1-14(2)17-12-19(26-10-8-25(3)9-11-26)24-21(23-17)29-13-16-6-7-18(28-16)20(27)22-15-4-5-15/h6-7,12,14-15H,4-5,8-11,13H2,1-3H3,(H,22,27)/p+1