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

Systemtic Name: 3-[(4-morpholin-4-yl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Openeye Name: 3-[(4-morpholino-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-N-[2-(2-pyridyl)ethyl]benzamide CAS Name: 3-[[[4-(4-morpholinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-[2-(2-pyridinyl)ethyl]benzamide IUPAC Name: 3-[(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Traditional Name: 3-[[(4-morpholino-6-phenyl-pyrimidin-2-yl)thio]methyl]-N-[2-(2-pyridyl)ethyl]benzamide Formula: C29H29N5O2S MolecularWeight: 511.63786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)NCCC5=CC=CC=N5

Isomeric SMILES

C1COCCN1C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)NCCC5=CC=CC=N5

InChI

InChI=1S/C29H29N5O2S/c35-28(31-14-12-25-11-4-5-13-30-25)24-10-6-7-22(19-24)21-37-29-32-26(23-8-2-1-3-9-23)20-27(33-29)34-15-17-36-18-16-34/h1-11,13,19-20H,12,14-18,21H2,(H,31,35)