4-azanyl-2-butylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-azanyl-2-butylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-amino-2-butylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-amino-2-(butylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-amino-2-butylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-amino-2-(butylthio)pyrimidine-5-carboxylic acid Formula: C9H13N3O2S MolecularWeight: 227.28342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=C(C(=N1)N)C(=O)O

Isomeric SMILES

CCCCSC1=NC=C(C(=N1)N)C(=O)O

InChI

InChI=1S/C9H13N3O2S/c1-2-3-4-15-9-11-5-6(8(13)14)7(10)12-9/h5H,2-4H2,1H3,(H,13,14)(H2,10,11,12)