4-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide

Systemtic Name: 4-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide Openeye Name: 4-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide CAS Name: 4-[[[4-(diethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-(2-methoxyethyl)benzamide IUPAC Name: 4-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide Traditional Name: 4-[[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-(2-methoxyethyl)benzamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)NCCOC

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)NCCOC

InChI

InChI=1S/C25H30N4O2S/c1-4-29(5-2)23-17-22(20-9-7-6-8-10-20)27-25(28-23)32-18-19-11-13-21(14-12-19)24(30)26-15-16-31-3/h6-14,17H,4-5,15-16,18H2,1-3H3,(H,26,30)