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

Systemtic Name: 4-(2-acetamidoethylsulfanyl)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-acetamidoethylsulfanyl)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-acetamidoethylthio)-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-acetamidoethylsulfanyl)-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-acetamidoethylthio)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCCNC(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCCNC(=O)C)C(=O)O

InChI

InChI=1S/C13H17N3O3S/c1-7-10(13(18)19)12(20-6-5-14-8(2)17)16-11(15-7)9-3-4-9/h9H,3-6H2,1-2H3,(H,14,17)(H,18,19)