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

Systemtic Name: S-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl) 3,4,5-trimethoxybenzenecarbothioate Openeye Name: S-(4-methyl-6-morpholino-pyrimidin-2-yl) 3,4,5-trimethoxybenzenecarbothioate CAS Name: 3,4,5-trimethoxybenzenecarbothioic acid S-[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl] ester IUPAC Name: S-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl) 3,4,5-trimethoxybenzenecarbothioate Traditional Name: 3,4,5-trimethoxythiobenzoic acid S-(4-methyl-6-morpholino-pyrimidin-2-yl) ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-12-9-16(22-5-7-27-8-6-22)21-19(20-12)28-18(23)13-10-14(24-2)17(26-4)15(11-13)25-3/h9-11H,5-8H2,1-4H3