tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate

Systemtic Name: tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate Openeye Name: tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]carbamic acid tert-butyl ester Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C17H21N3O2S/c1-11-10-12(2)19-15(18-11)23-14-8-6-13(7-9-14)20-16(21)22-17(3,4)5/h6-10H,1-5H3,(H,20,21)