N-cyclopropyl-3-[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-cyclopropyl-3-[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-cyclopropyl-3-[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-cyclopropyl-3-[[[4-(methoxymethyl)-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-cyclopropyl-3-[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-cyclopropyl-3-[[[4-(methoxymethyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]benzamide Formula: C22H30N5O2S+ MolecularWeight: 428.5709

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=NC(=C2)COC)SCC3=CC=CC(=C3)C(=O)NC4CC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=NC(=C2)COC)SCC3=CC=CC(=C3)C(=O)NC4CC4

InChI

InChI=1S/C22H29N5O2S/c1-26-8-10-27(11-9-26)20-13-19(14-29-2)24-22(25-20)30-15-16-4-3-5-17(12-16)21(28)23-18-6-7-18/h3-5,12-13,18H,6-11,14-15H2,1-2H3,(H,23,28)/p+1