2-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]methylthio]-6-methyl-1H-pyrimidin-4-one Formula: C15H16N6OS MolecularWeight: 328.39214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=N2)CSC3=NC(=O)C=C(N3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=N2)CSC3=NC(=O)C=C(N3)C)C

InChI

InChI=1S/C15H16N6OS/c1-9-4-5-12(10(2)6-9)21-13(18-19-20-21)8-23-15-16-11(3)7-14(22)17-15/h4-7H,8H2,1-3H3,(H,16,17,22)