tert-butyl N-[5-(2-iodanylpyrimidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamate

Systemtic Name: tert-butyl N-[5-(2-iodanylpyrimidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamate Openeye Name: tert-butyl N-[5-(2-iodopyrimidin-4-yl)-4-phenyl-thiazol-2-yl]carbamate CAS Name: N-[5-(2-iodo-4-pyrimidinyl)-4-phenyl-2-thiazolyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(2-iodopyrimidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamate Traditional Name: N-[5-(2-iodopyrimidin-4-yl)-4-phenyl-thiazol-2-yl]carbamic acid tert-butyl ester Formula: C18H17IN4O2S MolecularWeight: 480.32265

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC(=C(S1)C2=NC(=NC=C2)I)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC(=C(S1)C2=NC(=NC=C2)I)C3=CC=CC=C3

InChI

InChI=1S/C18H17IN4O2S/c1-18(2,3)25-17(24)23-16-22-13(11-7-5-4-6-8-11)14(26-16)12-9-10-20-15(19)21-12/h4-10H,1-3H3,(H,22,23,24)