(phenylmethyl) 6-methyl-4-(4-morpholin-4-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 6-methyl-4-(4-morpholin-4-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 6-methyl-4-(4-morpholinophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[4-(4-morpholinyl)phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-methyl-4-(4-morpholin-4-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-(4-morpholinophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)N3CCOCC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)N3CCOCC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S/c1-16-20(22(27)29-15-17-5-3-2-4-6-17)21(25-23(30)24-16)18-7-9-19(10-8-18)26-11-13-28-14-12-26/h2-10,21H,11-15H2,1H3,(H2,24,25,30)