4-azanyl-5-butyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid

Systemtic Name: 4-azanyl-5-butyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid Openeye Name: 4-amino-5-butyl-2-thioxo-1H-pyrimidine-6-carboxylic acid CAS Name: 4-amino-5-butyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid IUPAC Name: 4-amino-5-butyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid Traditional Name: 4-amino-5-butyl-2-thioxo-1H-pyrimidine-6-carboxylic acid Formula: C9H13N3O2S MolecularWeight: 227.28342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=S)N=C1N)C(=O)O

Isomeric SMILES

CCCCC1=C(NC(=S)N=C1N)C(=O)O

InChI

InChI=1S/C9H13N3O2S/c1-2-3-4-5-6(8(13)14)11-9(15)12-7(5)10/h2-4H2,1H3,(H,13,14)(H3,10,11,12,15)