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

Systemtic Name: N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-3-(3-phenylpropylamino)propanamide Openeye Name: N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-3-(3-phenylpropylamino)propanamide CAS Name: N-[4-(diethylamino)-2-methyl-6-(methylthio)-5-pyrimidinyl]-3-(3-phenylpropylamino)propanamide IUPAC Name: N-[4-(diethylamino)-2-methyl-6-methylsulfanylpyrimidin-5-yl]-3-(3-phenylpropylamino)propanamide Traditional Name: N-[4-(diethylamino)-2-methyl-6-(methylthio)pyrimidin-5-yl]-3-(3-phenylpropylamino)propionamide Formula: C22H33N5OS MolecularWeight: 415.59532

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C(=NC(=N1)C)SC)NC(=O)CCNCCCC2=CC=CC=C2

Isomeric SMILES

CCN(CC)C1=C(C(=NC(=N1)C)SC)NC(=O)CCNCCCC2=CC=CC=C2

InChI

InChI=1S/C22H33N5OS/c1-5-27(6-2)21-20(22(29-4)25-17(3)24-21)26-19(28)14-16-23-15-10-13-18-11-8-7-9-12-18/h7-9,11-12,23H,5-6,10,13-16H2,1-4H3,(H,26,28)