3-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-amino-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(4-amino-6-methyl-2-pyrimidinyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-amino-6-methyl-pyrimidin-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C13H12N6OS MolecularWeight: 300.33898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCN2C(=O)C3=CC=CC=C3N=N2)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCN2C(=O)C3=CC=CC=C3N=N2)N

InChI

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