S-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl) 3,5-dimethoxybenzenecarbothioate

Systemtic Name: S-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl) 3,5-dimethoxybenzenecarbothioate Openeye Name: S-(4-methyl-6-morpholino-pyrimidin-2-yl) 3,5-dimethoxybenzenecarbothioate CAS Name: 3,5-dimethoxybenzenecarbothioic acid S-[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl] ester IUPAC Name: S-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl) 3,5-dimethoxybenzenecarbothioate Traditional Name: 3,5-dimethoxythiobenzoic acid S-(4-methyl-6-morpholino-pyrimidin-2-yl) ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=O)C2=CC(=CC(=C2)OC)OC)N3CCOCC3

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=O)C2=CC(=CC(=C2)OC)OC)N3CCOCC3

InChI

InChI=1S/C18H21N3O4S/c1-12-8-16(21-4-6-25-7-5-21)20-18(19-12)26-17(22)13-9-14(23-2)11-15(10-13)24-3/h8-11H,4-7H2,1-3H3