2-[cyclopropylmethyl-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonyl]amino]ethanoic acid

Systemtic Name: 2-[cyclopropylmethyl-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonyl]amino]ethanoic acid Openeye Name: 2-[cyclopropylmethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid CAS Name: 2-[cyclopropylmethyl-[[6-methyl-4-(methylthio)-2-oxo-1H-pyrimidin-5-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[cyclopropylmethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid Traditional Name: 2-[cyclopropylmethyl-[2-keto-6-methyl-4-(methylthio)-1H-pyrimidine-5-carbonyl]amino]acetic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SC)C(=O)N(CC2CC2)CC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SC)C(=O)N(CC2CC2)CC(=O)O

InChI

InChI=1S/C13H17N3O4S/c1-7-10(11(21-2)15-13(20)14-7)12(19)16(6-9(17)18)5-8-3-4-8/h8H,3-6H2,1-2H3,(H,17,18)(H,14,15,20)