(phenylmethyl) N'-tert-butyl-N-pyrimidin-2-yl-carbamimidothioate

Systemtic Name: (phenylmethyl) N'-tert-butyl-N-pyrimidin-2-yl-carbamimidothioate Openeye Name: 2-benzyl-3-tert-butyl-1-pyrimidin-2-yl-isothiourea CAS Name: N'-tert-butyl-N-(2-pyrimidinyl)carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-tert-butyl-N-pyrimidin-2-ylcarbamimidothioate Traditional Name: 2-benzyl-3-tert-butyl-1-(2-pyrimidyl)isothiourea Formula: C16H20N4S MolecularWeight: 300.4218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(NC1=NC=CC=N1)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)N=C(NC1=NC=CC=N1)SCC2=CC=CC=C2

InChI

InChI=1S/C16H20N4S/c1-16(2,3)20-15(19-14-17-10-7-11-18-14)21-12-13-8-5-4-6-9-13/h4-11H,12H2,1-3H3,(H,17,18,19,20)