N-(cyclopropylmethyl)-3-[(4,5-dimethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(cyclopropylmethyl)-3-[(4,5-dimethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(cyclopropylmethyl)-3-[(4,5-dimethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(cyclopropylmethyl)-3-[[[4,5-dimethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(cyclopropylmethyl)-3-[(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(cyclopropylmethyl)-3-[[(4,5-dimethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]benzamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCOCC2)SCC3=CC=CC(=C3)C(=O)NCC4CC4)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCOCC2)SCC3=CC=CC(=C3)C(=O)NCC4CC4)C

InChI

InChI=1S/C22H28N4O2S/c1-15-16(2)24-22(25-20(15)26-8-10-28-11-9-26)29-14-18-4-3-5-19(12-18)21(27)23-13-17-6-7-17/h3-5,12,17H,6-11,13-14H2,1-2H3,(H,23,27)