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

Systemtic Name: 4-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[[[4-(diethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-(3-pyridylmethyl)benzamide Formula: C28H29N5OS MolecularWeight: 483.62776

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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)NCC4=CN=CC=C4

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C28H29N5OS/c1-3-33(4-2)26-17-25(23-10-6-5-7-11-23)31-28(32-26)35-20-21-12-14-24(15-13-21)27(34)30-19-22-9-8-16-29-18-22/h5-18H,3-4,19-20H2,1-2H3,(H,30,34)