6-[[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[5-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[5-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[5-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]uracil Formula: C23H28N6O3S MolecularWeight: 468.57182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)N3CCCCCC3)CC4=CC(=O)NC(=O)N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)N3CCCCCC3)CC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C23H28N6O3S/c1-15-7-8-16(2)18(11-15)29-19(12-17-13-20(30)25-22(32)24-17)26-27-23(29)33-14-21(31)28-9-5-3-4-6-10-28/h7-8,11,13H,3-6,9-10,12,14H2,1-2H3,(H2,24,25,30,32)