4-[[4-[methyl(propyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-yl-benzamide

Systemtic Name: 4-[[4-[methyl(propyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-yl-benzamide Openeye Name: 4-[[4-[methyl(propyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-morpholino-benzamide CAS Name: 4-[[[4-[methyl(propyl)amino]-6-phenyl-2-pyrimidinyl]thio]methyl]-N-(4-morpholinyl)benzamide IUPAC Name: 4-[[4-[methyl(propyl)amino]-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylbenzamide Traditional Name: 4-[[[4-[methyl(propyl)amino]-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-morpholino-benzamide Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)NN4CCOCC4

Isomeric SMILES

CCCN(C)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)NN4CCOCC4

InChI

InChI=1S/C26H31N5O2S/c1-3-13-30(2)24-18-23(21-7-5-4-6-8-21)27-26(28-24)34-19-20-9-11-22(12-10-20)25(32)29-31-14-16-33-17-15-31/h4-12,18H,3,13-17,19H2,1-2H3,(H,29,32)