6-[[[3,5-bis(bromanyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]carbamoyl]-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 6-[[[3,5-bis(bromanyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]carbamoyl]-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 6-[[(3,5-dibromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 6-[[(3,5-dibromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-oxomethyl]-2-(methylthio)-4-pyrimidinolate IUPAC Name: 6-[[(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]-2-methylsulfanylpyrimidin-4-olate Traditional Name: 6-[[(3,5-dibromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]-2-(methylthio)pyrimidin-4-olate Formula: C13H9Br2N4O3S- MolecularWeight: 461.10856

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)[O-])C(=O)NNC=C2C=C(C=C(C2=O)Br)Br

Isomeric SMILES

CSC1=NC(=CC(=N1)[O-])C(=O)NNC=C2C=C(C=C(C2=O)Br)Br

InChI

InChI=1S/C13H10Br2N4O3S/c1-23-13-17-9(4-10(20)18-13)12(22)19-16-5-6-2-7(14)3-8(15)11(6)21/h2-5,16H,1H3,(H,19,22)(H,17,18,20)/p-1