2-methoxyethyl 3-(3,5-dimethylphenyl)-4-methyl-6-[1-(phenylmethyl)pyrazol-4-yl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 3-(3,5-dimethylphenyl)-4-methyl-6-[1-(phenylmethyl)pyrazol-4-yl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-(1-benzylpyrazol-4-yl)-3-(3,5-dimethylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(3,5-dimethylphenyl)-4-methyl-6-[1-(phenylmethyl)-4-pyrazolyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-(1-benzylpyrazol-4-yl)-3-(3,5-dimethylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(1-benzylpyrazol-4-yl)-3-(3,5-dimethylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C27H30N4O3S MolecularWeight: 490.6171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=C(C(NC2=S)C3=CN(N=C3)CC4=CC=CC=C4)C(=O)OCCOC)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=C(C(NC2=S)C3=CN(N=C3)CC4=CC=CC=C4)C(=O)OCCOC)C)C

InChI

InChI=1S/C27H30N4O3S/c1-18-12-19(2)14-23(13-18)31-20(3)24(26(32)34-11-10-33-4)25(29-27(31)35)22-15-28-30(17-22)16-21-8-6-5-7-9-21/h5-9,12-15,17,25H,10-11,16H2,1-4H3,(H,29,35)