4-(2-acetamidoethylsulfanyl)-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-acetamidoethylsulfanyl)-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-acetamidoethylsulfanyl)-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-acetamidoethylthio)-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-acetamidoethylsulfanyl)-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-acetamidoethylthio)-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)C)SCCNC(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)C)SCCNC(=O)C)C(=O)O

InChI

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