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

Systemtic Name: 6-methyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[(1-phenyl-5-tetrazolyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[(1-phenyltetrazol-5-yl)methylthio]-1H-pyrimidin-4-one Formula: C13H12N6OS MolecularWeight: 300.33898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C13H12N6OS/c1-9-7-12(20)15-13(14-9)21-8-11-16-17-18-19(11)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15,20)