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

Systemtic Name: 6-[[5-(3-methylbutylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[(5-isopentylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[5-(3-methylbutylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[5-(3-methylbutylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[5-(isoamylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]uracil Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NN=C(N1C2=CC=CC=C2)CC3=CC(=O)NC(=O)N3

Isomeric SMILES

CC(C)CCSC1=NN=C(N1C2=CC=CC=C2)CC3=CC(=O)NC(=O)N3

InChI

InChI=1S/C18H21N5O2S/c1-12(2)8-9-26-18-22-21-15(23(18)14-6-4-3-5-7-14)10-13-11-16(24)20-17(25)19-13/h3-7,11-12H,8-10H2,1-2H3,(H2,19,20,24,25)