2-phenoxyethyl (4R)-4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-phenoxyethyl (4R)-4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-phenoxyethyl (4R)-4-(4-dimethylaminophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4R)-4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(4-dimethylaminophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-phenoxyethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)N(C)C)C(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC=C(C=C2)N(C)C)C(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-15-19(21(26)28-14-13-27-18-7-5-4-6-8-18)20(24-22(29)23-15)16-9-11-17(12-10-16)25(2)3/h4-12,20H,13-14H2,1-3H3,(H2,23,24,29)/t20-/m1/s1