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

Systemtic Name: [2-acetamido-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-pyrimidin-4-yl] carbamimidothioate Openeye Name: N-[4-carbamimidoylsulfanyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-pyrimidin-2-yl]acetamide CAS Name: carbamimidothioic acid [2-acetamido-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-4-pyrimidinyl] ester IUPAC Name: [2-acetamido-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methylpyrimidin-4-yl] carbamimidothioate Traditional Name: N-[4-(amidinothio)-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-pyrimidin-2-yl]acetamide Formula: C13H19N5O3S MolecularWeight: 325.38666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC(=O)C)SC(=N)N)CCC2OCCO2

Isomeric SMILES

CC1=C(C(=NC(=N1)NC(=O)C)SC(=N)N)CCC2OCCO2

InChI

InChI=1S/C13H19N5O3S/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)