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

Systemtic Name: 6-[(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[(5-isopropylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-phenyl-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[5-(isopropylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]uracil Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S/c1-10(2)24-16-20-19-13(21(16)12-6-4-3-5-7-12)8-11-9-14(22)18-15(23)17-11/h3-7,9-10H,8H2,1-2H3,(H2,17,18,22,23)