6-[(4-chlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine

Systemtic Name: 6-[(4-chlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine Openeye Name: 6-[(4-chlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)methylthio]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)-4-pyrimidinamine IUPAC Name: 6-[(4-chlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine Traditional Name: [6-[(4-chlorobenzyl)thio]-2-(4-methoxyphenyl)pyrimidin-4-yl]-(2-methoxyethyl)amine Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=CC(=NC(=N1)C2=CC=C(C=C2)OC)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

COCCNC1=CC(=NC(=N1)C2=CC=C(C=C2)OC)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-26-12-11-23-19-13-20(28-14-15-3-7-17(22)8-4-15)25-21(24-19)16-5-9-18(27-2)10-6-16/h3-10,13H,11-12,14H2,1-2H3,(H,23,24,25)