6-[(5-butan-2-ylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[(5-butan-2-ylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[(4-phenyl-5-sec-butylsulfanyl-1,2,4-triazol-3-yl)methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[5-(butan-2-ylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[(5-butan-2-ylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[4-phenyl-5-(sec-butylthio)-1,2,4-triazol-3-yl]methyl]uracil Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1C2=CC=CC=C2)CC3=CC(=O)NC(=O)N3

Isomeric SMILES

CCC(C)SC1=NN=C(N1C2=CC=CC=C2)CC3=CC(=O)NC(=O)N3

InChI

InChI=1S/C17H19N5O2S/c1-3-11(2)25-17-21-20-14(22(17)13-7-5-4-6-8-13)9-12-10-15(23)19-16(24)18-12/h4-8,10-11H,3,9H2,1-2H3,(H2,18,19,23,24)