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

Systemtic Name: 2-methoxyethyl 3-(3-fluoranyl-4-methyl-phenyl)-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-fluoro-4-methyl-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(3-fluoro-4-methylphenyl)-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-fluoro-4-methylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(1-benzylpyrazol-4-yl)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C26H27FN4O3S MolecularWeight: 494.580983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27FN4O3S/c1-17-9-10-21(13-22(17)27)31-18(2)23(25(32)34-12-11-33-3)24(29-26(31)35)20-14-28-30(16-20)15-19-7-5-4-6-8-19/h4-10,13-14,16,24H,11-12,15H2,1-3H3,(H,29,35)