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

Systemtic Name: 4-[2-(ethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(ethylamino)-2-oxo-ethyl]sulfanyl-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(ethylamino)-2-oxoethyl]thio]-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(ethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(ethylamino)-2-keto-ethyl]thio]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3S/c1-5-14-9(17)6-20-12-10(13(18)19)8(4)15-11(16-12)7(2)3/h7H,5-6H2,1-4H3,(H,14,17)(H,18,19)