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

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pyrimidin-6-yl)carbamothioylamino]benzoic acid Openeye Name: 4-[(2-amino-4-oxo-1H-pyrimidin-6-yl)carbamothioylamino]benzoic acid CAS Name: 4-[[[(2-amino-4-oxo-1H-pyrimidin-6-yl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(2-amino-4-oxo-1H-pyrimidin-6-yl)carbamothioylamino]benzoic acid Traditional Name: 4-[(2-amino-4-keto-1H-pyrimidin-6-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=CC(=O)N=C(N2)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=S)NC2=CC(=O)N=C(N2)N

InChI

InChI=1S/C12H11N5O3S/c13-11-15-8(5-9(18)17-11)16-12(21)14-7-3-1-6(2-4-7)10(19)20/h1-5H,(H,19,20)(H5,13,14,15,16,17,18,21)