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

Systemtic Name: tert-butyl N-[1-(2-hexylsulfanylpyrimidin-4-yl)benzimidazol-5-yl]carbamate Openeye Name: tert-butyl N-[1-(2-hexylsulfanylpyrimidin-4-yl)benzimidazol-5-yl]carbamate CAS Name: N-[1-[2-(hexylthio)-4-pyrimidinyl]-5-benzimidazolyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-hexylsulfanylpyrimidin-4-yl)benzimidazol-5-yl]carbamate Traditional Name: N-[1-[2-(hexylthio)pyrimidin-4-yl]benzimidazol-5-yl]carbamic acid tert-butyl ester Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC=CC(=N1)N2C=NC3=C2C=CC(=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCSC1=NC=CC(=N1)N2C=NC3=C2C=CC(=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N5O2S/c1-5-6-7-8-13-30-20-23-12-11-19(26-20)27-15-24-17-14-16(9-10-18(17)27)25-21(28)29-22(2,3)4/h9-12,14-15H,5-8,13H2,1-4H3,(H,25,28)