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

Systemtic Name: methyl 3-(2,5-dimethylphenyl)-4-methyl-6-[1-(phenylmethyl)pyrazol-4-yl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(1-benzylpyrazol-4-yl)-3-(2,5-dimethylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(2,5-dimethylphenyl)-4-methyl-6-[1-(phenylmethyl)-4-pyrazolyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(1-benzylpyrazol-4-yl)-3-(2,5-dimethylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(1-benzylpyrazol-4-yl)-3-(2,5-dimethylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O2S/c1-16-10-11-17(2)21(12-16)29-18(3)22(24(30)31-4)23(27-25(29)32)20-13-26-28(15-20)14-19-8-6-5-7-9-19/h5-13,15,23H,14H2,1-4H3,(H,27,32)