[2-acetamido-5-(2-cyanoethyl)-6-methyl-pyrimidin-4-yl] carbamimidothioate

Systemtic Name: [2-acetamido-5-(2-cyanoethyl)-6-methyl-pyrimidin-4-yl] carbamimidothioate Openeye Name: N-[4-carbamimidoylsulfanyl-5-(2-cyanoethyl)-6-methyl-pyrimidin-2-yl]acetamide CAS Name: carbamimidothioic acid [2-acetamido-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl] ester IUPAC Name: [2-acetamido-5-(2-cyanoethyl)-6-methylpyrimidin-4-yl] carbamimidothioate Traditional Name: N-[4-(amidinothio)-5-(2-cyanoethyl)-6-methyl-pyrimidin-2-yl]acetamide Formula: C11H14N6OS MolecularWeight: 278.33346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC(=O)C)SC(=N)N)CCC#N

Isomeric SMILES

CC1=C(C(=NC(=N1)NC(=O)C)SC(=N)N)CCC#N

InChI

InChI=1S/C11H14N6OS/c1-6-8(4-3-5-12)9(19-10(13)14)17-11(15-6)16-7(2)18/h3-4H2,1-2H3,(H3,13,14)(H,15,16,17,18)