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

Systemtic Name: 6-[[5-butylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[5-butylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[5-(butylthio)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[5-butylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[5-(butylthio)-4-p-phenetyl-1,2,4-triazol-3-yl]methyl]uracil Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O3S/c1-3-5-10-28-19-23-22-16(11-13-12-17(25)21-18(26)20-13)24(19)14-6-8-15(9-7-14)27-4-2/h6-9,12H,3-5,10-11H2,1-2H3,(H2,20,21,25,26)