tert-butyl N-[1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-5-yl]carbamate

Systemtic Name: tert-butyl N-[1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-5-yl]carbamate Openeye Name: tert-butyl N-[1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-5-yl]carbamate CAS Name: N-[1-[2-(methylthio)-4-pyrimidinyl]-5-benzimidazolyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-5-yl]carbamate Traditional Name: N-[1-[2-(methylthio)pyrimidin-4-yl]benzimidazol-5-yl]carbamic acid tert-butyl ester Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)SC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)SC

InChI

InChI=1S/C17H19N5O2S/c1-17(2,3)24-16(23)20-11-5-6-13-12(9-11)19-10-22(13)14-7-8-18-15(21-14)25-4/h5-10H,1-4H3,(H,20,23)