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

Systemtic Name: 2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]isoindoline-1,3-quinone Formula: C21H13N3O2S2 MolecularWeight: 403.47682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H13N3O2S2/c25-20-14-8-4-5-9-15(14)21(26)24(20)12-28-19-17-16(13-6-2-1-3-7-13)10-27-18(17)22-11-23-19/h1-11H,12H2