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

Systemtic Name: 6-[[5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[5-[(2-keto-2-piperidino-ethyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]uracil Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C20H22N6O3S/c27-17-12-14(21-19(29)22-17)11-16-23-24-20(26(16)15-7-3-1-4-8-15)30-13-18(28)25-9-5-2-6-10-25/h1,3-4,7-8,12H,2,5-6,9-11,13H2,(H2,21,22,27,29)