6-[[2-azanyl-5-(methoxycarbonylcarbamothioylamino)-4-oxidanylidene-1H-pyrimidin-6-yl]amino]hexanoic acid

Systemtic Name: 6-[[2-azanyl-5-(methoxycarbonylcarbamothioylamino)-4-oxidanylidene-1H-pyrimidin-6-yl]amino]hexanoic acid Openeye Name: 6-[[2-amino-5-(methoxycarbonylcarbamothioylamino)-4-oxo-1H-pyrimidin-6-yl]amino]hexanoic acid CAS Name: 6-[[2-amino-5-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-4-oxo-1H-pyrimidin-6-yl]amino]hexanoic acid IUPAC Name: 6-[[2-amino-5-(methoxycarbonylcarbamothioylamino)-4-oxo-1H-pyrimidin-6-yl]amino]hexanoic acid Traditional Name: 6-[[2-amino-5-(carbomethoxythiocarbamoylamino)-4-keto-1H-pyrimidin-6-yl]amino]hexanoic acid Formula: C13H20N6O5S MolecularWeight: 372.4001

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(NC(=NC1=O)N)NCCCCCC(=O)O

Isomeric SMILES

COC(=O)NC(=S)NC1=C(NC(=NC1=O)N)NCCCCCC(=O)O

InChI

InChI=1S/C13H20N6O5S/c1-24-13(23)19-12(25)16-8-9(17-11(14)18-10(8)22)15-6-4-2-3-5-7(20)21/h2-6H2,1H3,(H,20,21)(H2,16,19,23,25)(H4,14,15,17,18,22)