N-[2-(4-tert-butylphenoxy)ethyl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-[2-(4-tert-butylphenoxy)ethyl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-[2-(4-tert-butylphenoxy)ethyl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[2-(4-tert-butylphenoxy)ethyl]-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[2-(4-tert-butylphenoxy)ethyl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C18H22ClN3O2S/c1-18(2,3)12-5-7-13(8-6-12)24-10-9-20-16(23)15-14(19)11-21-17(22-15)25-4/h5-8,11H,9-10H2,1-4H3,(H,20,23)