3-methyl-6-(1-methylbenzotriazol-5-yl)-2-methylsulfanyl-pyrimidin-4-one

Systemtic Name: 3-methyl-6-(1-methylbenzotriazol-5-yl)-2-methylsulfanyl-pyrimidin-4-one Openeye Name: 3-methyl-6-(1-methylbenzotriazol-5-yl)-2-methylsulfanyl-pyrimidin-4-one CAS Name: 3-methyl-6-(1-methyl-5-benzotriazolyl)-2-(methylthio)-4-pyrimidinone IUPAC Name: 3-methyl-6-(1-methylbenzotriazol-5-yl)-2-methylsulfanylpyrimidin-4-one Traditional Name: 3-methyl-6-(1-methylbenzotriazol-5-yl)-2-(methylthio)pyrimidin-4-one Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3=CC(=O)N(C(=N3)SC)C)N=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3=CC(=O)N(C(=N3)SC)C)N=N1

InChI

InChI=1S/C13H13N5OS/c1-17-12(19)7-9(14-13(17)20-3)8-4-5-11-10(6-8)15-16-18(11)2/h4-7H,1-3H3