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

Systemtic Name: 2-[3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]propyl]isoindoline-1,3-quinone Formula: C19H17N3O2S2 MolecularWeight: 383.48718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCCCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C19H17N3O2S2/c1-11-12(2)26-17-15(11)16(20-10-21-17)25-9-5-8-22-18(23)13-6-3-4-7-14(13)19(22)24/h3-4,6-7,10H,5,8-9H2,1-2H3