[3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-yl-methanone

Systemtic Name: [3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-yl-methanone Openeye Name: [3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholino-methanone CAS Name: [3-[[[4-tert-butyl-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]phenyl]-(4-morpholinyl)methanone IUPAC Name: [3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-ylmethanone Traditional Name: [3-[[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]phenyl]-morpholino-methanone Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCOCC3)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCOCC3)N(C)C

InChI

InChI=1S/C22H30N4O2S/c1-22(2,3)18-14-19(25(4)5)24-21(23-18)29-15-16-7-6-8-17(13-16)20(27)26-9-11-28-12-10-26/h6-8,13-14H,9-12,15H2,1-5H3