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

Systemtic Name: 4-azanyl-2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]-4-keto-butyric acid Formula: C10H11ClN4O4S MolecularWeight: 318.73674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11ClN4O4S/c1-20-10-13-3-4(11)7(15-10)8(17)14-5(9(18)19)2-6(12)16/h3,5H,2H2,1H3,(H2,12,16)(H,14,17)(H,18,19)