6-[(butylcarbamothioylamino)carbamoyl]-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 6-[(butylcarbamothioylamino)carbamoyl]-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 6-[(butylcarbamothioylamino)carbamoyl]-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 6-[[[butylamino(sulfanylidene)methyl]hydrazo]-oxomethyl]-2-(methylthio)-4-pyrimidinolate IUPAC Name: 6-[(butylcarbamothioylamino)carbamoyl]-2-methylsulfanylpyrimidin-4-olate Traditional Name: 6-[(butylthiocarbamoylamino)carbamoyl]-2-(methylthio)pyrimidin-4-olate Formula: C11H16N5O2S2- MolecularWeight: 314.40704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=O)C1=CC(=NC(=N1)SC)[O-]

Isomeric SMILES

CCCCNC(=S)NNC(=O)C1=CC(=NC(=N1)SC)[O-]

InChI

InChI=1S/C11H17N5O2S2/c1-3-4-5-12-10(19)16-15-9(18)7-6-8(17)14-11(13-7)20-2/h6H,3-5H2,1-2H3,(H,15,18)(H2,12,16,19)(H,13,14,17)/p-1