3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C16H13N5OS2 MolecularWeight: 355.43732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCN3C(=O)C4=CC=CC=C4N=N3)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCN3C(=O)C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C16H13N5OS2/c1-9-10(2)24-15-13(9)14(17-7-18-15)23-8-21-16(22)11-5-3-4-6-12(11)19-20-21/h3-7H,8H2,1-2H3