4-azanyl-2-ethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: 4-azanyl-2-ethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 4-amino-2-ethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate IUPAC Name: 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-(ethylthio)pyrimidine-5-carboxylate Formula: C7H8N3O2S- MolecularWeight: 198.22232

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)N)C(=O)[O-]

Isomeric SMILES

CCSC1=NC=C(C(=N1)N)C(=O)[O-]

InChI

InChI=1S/C7H9N3O2S/c1-2-13-7-9-3-4(6(11)12)5(8)10-7/h3H,2H2,1H3,(H,11,12)(H2,8,9,10)/p-1