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

Systemtic Name: 2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonyl-(cyclopropylmethyl)amino]ethanoic acid Openeye Name: 2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)-(cyclopropylmethyl)amino]acetic acid CAS Name: 2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-(cyclopropylmethyl)amino]acetic acid IUPAC Name: 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-(cyclopropylmethyl)amino]acetic acid Traditional Name: 2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]-(cyclopropylmethyl)amino]acetic acid Formula: C12H14ClN3O3S MolecularWeight: 315.77586

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N(CC2CC2)CC(=O)O)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N(CC2CC2)CC(=O)O)Cl

InChI

InChI=1S/C12H14ClN3O3S/c1-20-12-14-4-8(13)10(15-12)11(19)16(6-9(17)18)5-7-2-3-7/h4,7H,2-3,5-6H2,1H3,(H,17,18)