N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C22H32N4OS MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=O)CCC2=C(N=C(N=C2C)SC)C)N(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNC(=O)CCC2=C(N=C(N=C2C)SC)C)N(C)C

InChI

InChI=1S/C22H32N4OS/c1-7-17-8-10-18(11-9-17)20(26(4)5)14-23-21(27)13-12-19-15(2)24-22(28-6)25-16(19)3/h8-11,20H,7,12-14H2,1-6H3,(H,23,27)