1,5-bis(pyrimidin-2-ylsulfanyl)anthracene-9,10-dione

Systemtic Name: 1,5-bis(pyrimidin-2-ylsulfanyl)anthracene-9,10-dione Openeye Name: 1,5-bis(pyrimidin-2-ylsulfanyl)anthracene-9,10-dione CAS Name: 1,5-bis(2-pyrimidinylthio)anthracene-9,10-dione IUPAC Name: 1,5-bis(pyrimidin-2-ylsulfanyl)anthracene-9,10-dione Traditional Name: 1,5-bis(2-pyrimidylthio)-9,10-anthraquinone Formula: C22H12N4O2S2 MolecularWeight: 428.48628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=NC=CC=N3)C(=O)C4=C(C2=O)C(=CC=C4)SC5=NC=CC=N5

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=NC=CC=N3)C(=O)C4=C(C2=O)C(=CC=C4)SC5=NC=CC=N5

InChI

InChI=1S/C22H12N4O2S2/c27-19-13-5-1-7-15(29-21-23-9-3-10-24-21)17(13)20(28)14-6-2-8-16(18(14)19)30-22-25-11-4-12-26-22/h1-12H