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

Systemtic Name: 3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C19H13N7OS MolecularWeight: 387.41782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C19H13N7OS/c27-19-14-8-4-5-9-16(14)23-24-25(19)12-28-18-15-10-22-26(17(15)20-11-21-18)13-6-2-1-3-7-13/h1-11H,12H2