[2-acetamido-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-pyrimidin-4-yl] carbamimidothioate chloride

Systemtic Name: [2-acetamido-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-pyrimidin-4-yl] carbamimidothioate chloride Openeye Name: N-[4-carbamimidoylsulfanyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-pyrimidin-2-yl]acetamide chloride CAS Name: carbamimidothioic acid [2-acetamido-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-4-pyrimidinyl] ester chloride IUPAC Name: [2-acetamido-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methylpyrimidin-4-yl] carbamimidothioate chloride Traditional Name: N-[4-(amidinothio)-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-pyrimidin-2-yl]acetamide chloride Formula: C13H19ClN5O3S- MolecularWeight: 360.83966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC(=O)C)SC(=N)N)CCC2OCCO2.[Cl-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC(=O)C)SC(=N)N)CCC2OCCO2.[Cl-]

InChI

InChI=1S/C13H19N5O3S.ClH/c1-7-9(3-4-10-20-5-6-21-10)11(22-12(14)15)18-13(16-7)17-8(2)19;/h10H,3-6H2,1-2H3,(H3,14,15)(H,16,17,18,19);1H/p-1