N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-2-(3-phenylpropylamino)ethanamide

Systemtic Name: N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-2-(3-phenylpropylamino)ethanamide Openeye Name: N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-2-(3-phenylpropylamino)acetamide CAS Name: N-[4-(diethylamino)-2-methyl-6-(methylthio)-5-pyrimidinyl]-2-(3-phenylpropylamino)acetamide IUPAC Name: N-[4-(diethylamino)-2-methyl-6-methylsulfanylpyrimidin-5-yl]-2-(3-phenylpropylamino)acetamide Traditional Name: N-[4-(diethylamino)-2-methyl-6-(methylthio)pyrimidin-5-yl]-2-(3-phenylpropylamino)acetamide Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C(=NC(=N1)C)SC)NC(=O)CNCCCC2=CC=CC=C2

Isomeric SMILES

CCN(CC)C1=C(C(=NC(=N1)C)SC)NC(=O)CNCCCC2=CC=CC=C2

InChI

InChI=1S/C21H31N5OS/c1-5-26(6-2)20-19(21(28-4)24-16(3)23-20)25-18(27)15-22-14-10-13-17-11-8-7-9-12-17/h7-9,11-12,22H,5-6,10,13-15H2,1-4H3,(H,25,27)