methyl N'-tert-butyl-N-pyrimidin-2-yl-carbamimidothioate

Systemtic Name: methyl N'-tert-butyl-N-pyrimidin-2-yl-carbamimidothioate Openeye Name: 3-tert-butyl-2-methyl-1-pyrimidin-2-yl-isothiourea CAS Name: N'-tert-butyl-N-(2-pyrimidinyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-tert-butyl-N-pyrimidin-2-ylcarbamimidothioate Traditional Name: 3-tert-butyl-2-methyl-1-(2-pyrimidyl)isothiourea Formula: C10H16N4S MolecularWeight: 224.32584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(NC1=NC=CC=N1)SC

Isomeric SMILES

CC(C)(C)N=C(NC1=NC=CC=N1)SC

InChI

InChI=1S/C10H16N4S/c1-10(2,3)14-9(15-4)13-8-11-6-5-7-12-8/h5-7H,1-4H3,(H,11,12,13,14)