6-[[5-butylsulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[[5-butylsulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[5-butylsulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[5-(butylthio)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[5-butylsulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[5-(butylthio)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]uracil Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=C(C=CC(=C2)C)C)CC3=CC(=O)NC(=O)N3

Isomeric SMILES

CCCCSC1=NN=C(N1C2=C(C=CC(=C2)C)C)CC3=CC(=O)NC(=O)N3

InChI

InChI=1S/C19H23N5O2S/c1-4-5-8-27-19-23-22-16(10-14-11-17(25)21-18(26)20-14)24(19)15-9-12(2)6-7-13(15)3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H2,20,21,25,26)