methyl 2-(3-cyclopropyl-4-methyl-5-morpholin-4-ylcarbonyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl)benzoate

Systemtic Name: methyl 2-(3-cyclopropyl-4-methyl-5-morpholin-4-ylcarbonyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl)benzoate Openeye Name: methyl 2-[3-cyclopropyl-4-methyl-5-(morpholine-4-carbonyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 2-[3-cyclopropyl-4-methyl-5-[4-morpholinyl(oxo)methyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-cyclopropyl-4-methyl-5-(morpholine-4-carbonyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 2-[3-cyclopropyl-4-methyl-5-(morpholine-4-carbonyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=CC=CC=C3C(=O)OC)C(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C(NC(=S)N1C2CC2)C3=CC=CC=C3C(=O)OC)C(=O)N4CCOCC4

InChI

InChI=1S/C21H25N3O4S/c1-13-17(19(25)23-9-11-28-12-10-23)18(22-21(29)24(13)14-7-8-14)15-5-3-4-6-16(15)20(26)27-2/h3-6,14,18H,7-12H2,1-2H3,(H,22,29)