2-ethyl-4-methyl-6-[1-oxidanylidene-1-(propylamino)propan-2-yl]sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-ethyl-4-methyl-6-[1-oxidanylidene-1-(propylamino)propan-2-yl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-[1-methyl-2-oxo-2-(propylamino)ethyl]sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-[[1-oxo-1-(propylamino)propan-2-yl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-[1-oxo-1-(propylamino)propan-2-yl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-[[2-keto-1-methyl-2-(propylamino)ethyl]thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC(=NC(=C1C(=O)O)C)CC

Isomeric SMILES

CCCNC(=O)C(C)SC1=NC(=NC(=C1C(=O)O)C)CC

InChI

InChI=1S/C14H21N3O3S/c1-5-7-15-12(18)9(4)21-13-11(14(19)20)8(3)16-10(6-2)17-13/h9H,5-7H2,1-4H3,(H,15,18)(H,19,20)