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

Systemtic Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]isoindoline-1,3-quinone Formula: C17H13N3O2S2 MolecularWeight: 355.43402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C17H13N3O2S2/c1-9-10(2)24-15-13(9)14(18-7-19-15)23-8-20-16(21)11-5-3-4-6-12(11)17(20)22/h3-7H,8H2,1-2H3