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

Systemtic Name: 2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]butyl]isoindoline-1,3-quinone Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C20H19N3O2S2/c1-12-13(2)27-18-16(12)17(21-11-22-18)26-10-6-5-9-23-19(24)14-7-3-4-8-15(14)20(23)25/h3-4,7-8,11H,5-6,9-10H2,1-2H3