2-[cyclopropylmethyl-(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonyl-amino]ethanoic acid

Systemtic Name: 2-[cyclopropylmethyl-(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonyl-amino]ethanoic acid Openeye Name: 2-[cyclopropylmethyl-(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)amino]acetic acid CAS Name: 2-[cyclopropylmethyl-[[2,4-dimethyl-6-(methylthio)-5-pyrimidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[cyclopropylmethyl-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]acetic acid Traditional Name: 2-[cyclopropylmethyl-[2,4-dimethyl-6-(methylthio)pyrimidine-5-carbonyl]amino]acetic acid Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S/c1-8-12(13(21-3)16-9(2)15-8)14(20)17(7-11(18)19)6-10-4-5-10/h10H,4-7H2,1-3H3,(H,18,19)