ethyl 2-[[5-(4-tert-butylphenyl)-4-(2-methylheptyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[[5-(4-tert-butylphenyl)-4-(2-methylheptyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[[5-(4-tert-butylphenyl)-4-(2-methylheptyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[[5-(4-tert-butylphenyl)-4-(2-methylheptyl)-1,2,4-triazol-3-yl]thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-tert-butylphenyl)-4-(2-methylheptyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[[5-(4-tert-butylphenyl)-4-(2-methylheptyl)-1,2,4-triazol-3-yl]thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C31H41N5O3S2 MolecularWeight: 595.81894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CN1C(=NN=C1SCC2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCCCCC(C)CN1C(=NN=C1SCC2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H41N5O3S2/c1-8-10-11-12-19(3)17-36-26(21-13-15-22(16-14-21)31(5,6)7)34-35-30(36)40-18-23-32-27(37)24-20(4)25(29(38)39-9-2)41-28(24)33-23/h13-16,19H,8-12,17-18H2,1-7H3,(H,32,33,37)