2-methylsulfanyl-4-(propylamino)pyrimidine-5-carboxylic acid

Systemtic Name: 2-methylsulfanyl-4-(propylamino)pyrimidine-5-carboxylic acid Openeye Name: 2-methylsulfanyl-4-(propylamino)pyrimidine-5-carboxylic acid CAS Name: 2-(methylthio)-4-(propylamino)-5-pyrimidinecarboxylic acid IUPAC Name: 2-methylsulfanyl-4-(propylamino)pyrimidine-5-carboxylic acid Traditional Name: 2-(methylthio)-4-(propylamino)pyrimidine-5-carboxylic acid Formula: C9H13N3O2S MolecularWeight: 227.28342

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC=C1C(=O)O)SC

Isomeric SMILES

CCCNC1=NC(=NC=C1C(=O)O)SC

InChI

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