3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C14H11N7OS MolecularWeight: 325.34844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C14H11N7OS/c1-20-12-10(6-17-20)13(16-7-15-12)23-8-21-14(22)9-4-2-3-5-11(9)18-19-21/h2-7H,8H2,1H3