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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCOCC3)N(CC)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCOCC3)N(CC)CC

InChI

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