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

Systemtic Name: 6-[[4-(2,5-dimethylphenyl)-5-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[5-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-(2,5-dimethylphenyl)-5-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[5-[2-(4-benzylpiperidin-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-(4-benzylpiperidino)-2-keto-ethyl]thio]-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]uracil Formula: C29H32N6O3S MolecularWeight: 544.66778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)CC5=CC(=O)NC(=O)N5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)CC5=CC(=O)NC(=O)N5

InChI

InChI=1S/C29H32N6O3S/c1-19-8-9-20(2)24(14-19)35-25(16-23-17-26(36)31-28(38)30-23)32-33-29(35)39-18-27(37)34-12-10-22(11-13-34)15-21-6-4-3-5-7-21/h3-9,14,17,22H,10-13,15-16,18H2,1-2H3,(H2,30,31,36,38)