[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-morpholin-4-yl-methanone

Systemtic Name: [4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-morpholin-4-yl-methanone Openeye Name: [4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-morpholino-methanone CAS Name: [4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-(4-morpholinyl)methanone IUPAC Name: [4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone Traditional Name: [4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]phenyl]-morpholino-methanone Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCOCC3)C

InChI

InChI=1S/C18H21N3O2S/c1-13-11-14(2)20-18(19-13)24-12-15-3-5-16(6-4-15)17(22)21-7-9-23-10-8-21/h3-6,11H,7-10,12H2,1-2H3