2-methoxyethyl (6R)-3-(3,5-dimethylphenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl (6R)-3-(3,5-dimethylphenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6R)-3-(3,5-dimethylphenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(3,5-dimethylphenyl)-6-[4-(1-imidazolyl)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6R)-3-(3,5-dimethylphenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(3,5-dimethylphenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=C(C(NC2=S)C3=CC=C(C=C3)N4C=CN=C4)C(=O)OCCOC)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=C([C@H](NC2=S)C3=CC=C(C=C3)N4C=CN=C4)C(=O)OCCOC)C)C

InChI

InChI=1S/C26H28N4O3S/c1-17-13-18(2)15-22(14-17)30-19(3)23(25(31)33-12-11-32-4)24(28-26(30)34)20-5-7-21(8-6-20)29-10-9-27-16-29/h5-10,13-16,24H,11-12H2,1-4H3,(H,28,34)/t24-/m1/s1