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

Systemtic Name: 2-methoxyethyl (6R)-6-(4-imidazol-1-ylphenyl)-4-methyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6R)-6-(4-imidazol-1-ylphenyl)-4-methyl-3-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[4-(1-imidazolyl)phenyl]-4-methyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6R)-6-(4-imidazol-1-ylphenyl)-4-methyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(4-imidazol-1-ylphenyl)-4-methyl-3-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=S)C2=CC=C(C=C2)N3C=CN=C3)C(=O)OCCOC)C

Isomeric SMILES

CCCN1C(=C([C@H](NC1=S)C2=CC=C(C=C2)N3C=CN=C3)C(=O)OCCOC)C

InChI

InChI=1S/C21H26N4O3S/c1-4-10-25-15(2)18(20(26)28-13-12-27-3)19(23-21(25)29)16-5-7-17(8-6-16)24-11-9-22-14-24/h5-9,11,14,19H,4,10,12-13H2,1-3H3,(H,23,29)/t19-/m1/s1