4-[(2-azanyl-6-oxidanylidene-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid

Systemtic Name: 4-[(2-azanyl-6-oxidanylidene-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid Openeye Name: 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid CAS Name: 4-[[[(2-amino-6-oxo-1H-pyrimidin-5-yl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid Traditional Name: 4-[(2-amino-6-keto-1H-pyrimidin-5-yl)thiocarbamoylamino]benzoic acid Formula: C12H11N5O3S MolecularWeight: 305.31244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=S)NC2=CN=C(NC2=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=S)NC2=CN=C(NC2=O)N

InChI

InChI=1S/C12H11N5O3S/c13-11-14-5-8(9(18)17-11)16-12(21)15-7-3-1-6(2-4-7)10(19)20/h1-5H,(H,19,20)(H2,15,16,21)(H3,13,14,17,18)