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

Systemtic Name: 6-[[5-butylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[5-butylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[5-(butylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[5-butylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[5-(butylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]uracil Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O3S/c1-3-4-9-27-18-22-21-15(10-12-11-16(24)20-17(25)19-12)23(18)13-5-7-14(26-2)8-6-13/h5-8,11H,3-4,9-10H2,1-2H3,(H2,19,20,24,25)