2-(2-ethylsulfanylethylamino)-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-(2-ethylsulfanylethylamino)-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-(2-ethylsulfanylethylamino)-6-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[2-(ethylthio)ethylamino]-6-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-(2-ethylsulfanylethylamino)-6-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-[2-(ethylthio)ethylamino]-6-keto-1H-pyrimidine-5-carboxylic acid Formula: C9H13N3O3S MolecularWeight: 243.28282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC1=NC=C(C(=O)N1)C(=O)O

Isomeric SMILES

CCSCCNC1=NC=C(C(=O)N1)C(=O)O

InChI

InChI=1S/C9H13N3O3S/c1-2-16-4-3-10-9-11-5-6(8(14)15)7(13)12-9/h5H,2-4H2,1H3,(H,14,15)(H2,10,11,12,13)