2-[4-(5-cyano-6-oxidanylidene-4-sulfanyl-1H-pyrimidin-2-yl)phenyl]-6-oxidanylidene-4-sulfanyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[4-(5-cyano-6-oxidanylidene-4-sulfanyl-1H-pyrimidin-2-yl)phenyl]-6-oxidanylidene-4-sulfanyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[4-(5-cyano-6-oxo-4-sulfanyl-1H-pyrimidin-2-yl)phenyl]-6-oxo-4-sulfanyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[4-(5-cyano-4-mercapto-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-mercapto-6-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[4-(5-cyano-6-oxo-4-sulfanyl-1H-pyrimidin-2-yl)phenyl]-6-oxo-4-sulfanyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[4-(5-cyano-6-keto-4-mercapto-1H-pyrimidin-2-yl)phenyl]-6-keto-4-mercapto-1H-pyrimidine-5-carbonitrile Formula: C16H8N6O2S2 MolecularWeight: 380.40372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=C(C(=O)N2)C#N)S)C3=NC(=C(C(=O)N3)C#N)S

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=C(C(=O)N2)C#N)S)C3=NC(=C(C(=O)N3)C#N)S

InChI

InChI=1S/C16H8N6O2S2/c17-5-9-13(23)19-11(21-15(9)25)7-1-2-8(4-3-7)12-20-14(24)10(6-18)16(26)22-12/h1-4H,(H2,19,21,23,25)(H2,20,22,24,26)