3-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methyl-benzamide

Systemtic Name: 3-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methyl-benzamide Openeye Name: 3-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methyl-benzamide CAS Name: 3-[[[4-(diethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-ethyl-N-methylbenzamide IUPAC Name: 3-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methylbenzamide Traditional Name: 3-[[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-ethyl-N-methyl-benzamide Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N(CC)CC)C3=CC=CC=C3

Isomeric SMILES

CCN(C)C(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N(CC)CC)C3=CC=CC=C3

InChI

InChI=1S/C25H30N4OS/c1-5-28(4)24(30)21-15-11-12-19(16-21)18-31-25-26-22(20-13-9-8-10-14-20)17-23(27-25)29(6-2)7-3/h8-17H,5-7,18H2,1-4H3