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

Systemtic Name: 3-[(4-morpholin-4-yl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 3-[(4-morpholino-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-N-(3-pyridylmethyl)benzamide CAS Name: 3-[[[4-(4-morpholinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3-[(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 3-[[(4-morpholino-6-phenyl-pyrimidin-2-yl)thio]methyl]-N-(3-pyridylmethyl)benzamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1COCCN1C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C28H27N5O2S/c34-27(30-19-22-7-5-11-29-18-22)24-10-4-6-21(16-24)20-36-28-31-25(23-8-2-1-3-9-23)17-26(32-28)33-12-14-35-15-13-33/h1-11,16-18H,12-15,19-20H2,(H,30,34)