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

Systemtic Name: [3-[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-yl-methanone Openeye Name: [3-[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholino-methanone CAS Name: [3-[[[4-(diethylamino)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]phenyl]-(4-morpholinyl)methanone IUPAC Name: [3-[[4-(diethylamino)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-ylmethanone Traditional Name: [3-[[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]phenyl]-morpholino-methanone Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1C)C)SCC2=CC=CC(=C2)C(=O)N3CCOCC3

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1C)C)SCC2=CC=CC(=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C22H30N4O2S/c1-5-25(6-2)20-16(3)17(4)23-22(24-20)29-15-18-8-7-9-19(14-18)21(27)26-10-12-28-13-11-26/h7-9,14H,5-6,10-13,15H2,1-4H3