ethyl 6-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-methyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[4-methyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[(4-methyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NN=C(N3C)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NN=C(N3C)N4CCOCC4

InChI

InChI=1S/C21H26N6O4S/c1-3-31-18(28)16-15(22-19(29)23-17(16)14-7-5-4-6-8-14)13-32-21-25-24-20(26(21)2)27-9-11-30-12-10-27/h4-8,17H,3,9-13H2,1-2H3,(H2,22,23,29)