5-azanyl-2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]-5-keto-valeric acid Formula: C11H13ClN4O4S MolecularWeight: 332.76332

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC(CCC(=O)N)C(=O)O)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC(CCC(=O)N)C(=O)O)Cl

InChI

InChI=1S/C11H13ClN4O4S/c1-21-11-14-4-5(12)8(16-11)9(18)15-6(10(19)20)2-3-7(13)17/h4,6H,2-3H2,1H3,(H2,13,17)(H,15,18)(H,19,20)