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

Systemtic Name: 4-methyl-6-[2-oxidanylidene-2-(propylamino)ethyl]sulfanyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 2-isopropyl-4-methyl-6-[2-oxo-2-(propylamino)ethyl]sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-[[2-oxo-2-(propylamino)ethyl]thio]-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-[2-oxo-2-(propylamino)ethyl]sulfanyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 2-isopropyl-4-[[2-keto-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)CSC1=NC(=NC(=C1C(=O)O)C)C(C)C

Isomeric SMILES

CCCNC(=O)CSC1=NC(=NC(=C1C(=O)O)C)C(C)C

InChI

InChI=1S/C14H21N3O3S/c1-5-6-15-10(18)7-21-13-11(14(19)20)9(4)16-12(17-13)8(2)3/h8H,5-7H2,1-4H3,(H,15,18)(H,19,20)