[3-[(4,5-dimethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-morpholin-4-yl-methanone

Systemtic Name: [3-[(4,5-dimethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-morpholin-4-yl-methanone Openeye Name: [3-[(4,5-dimethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]phenyl]-morpholino-methanone CAS Name: [3-[[[4,5-dimethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(4-morpholinyl)methanone IUPAC Name: [3-[(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone Traditional Name: [3-[[(4,5-dimethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]phenyl]-morpholino-methanone Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCOCC2)SCC3=CC=CC(=C3)C(=O)N4CCOCC4)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCOCC2)SCC3=CC=CC(=C3)C(=O)N4CCOCC4)C

InChI

InChI=1S/C22H28N4O3S/c1-16-17(2)23-22(24-20(16)25-6-10-28-11-7-25)30-15-18-4-3-5-19(14-18)21(27)26-8-12-29-13-9-26/h3-5,14H,6-13,15H2,1-2H3