2-[3-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]amino]phenyl]-2-sulfanyl-ethanenitrile

Systemtic Name: 2-[3-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]amino]phenyl]-2-sulfanyl-ethanenitrile Openeye Name: 2-[3-[(2,4-dioxo-1H-pyrimidin-6-yl)amino]phenyl]-2-sulfanyl-acetonitrile CAS Name: 2-[3-[(2,4-dioxo-1H-pyrimidin-6-yl)amino]phenyl]-2-mercaptoacetonitrile IUPAC Name: 2-[3-[(2,4-dioxo-1H-pyrimidin-6-yl)amino]phenyl]-2-sulfanylacetonitrile Traditional Name: 2-[3-[(2,4-diketo-1H-pyrimidin-6-yl)amino]phenyl]-2-mercapto-acetonitrile Formula: C12H10N4O2S MolecularWeight: 274.2984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=CC(=O)NC(=O)N2)C(C#N)S

Isomeric SMILES

C1=CC(=CC(=C1)NC2=CC(=O)NC(=O)N2)C(C#N)S

InChI

InChI=1S/C12H10N4O2S/c13-6-9(19)7-2-1-3-8(4-7)14-10-5-11(17)16-12(18)15-10/h1-5,9,19H,(H3,14,15,16,17,18)