propan-2-yl 4-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: propan-2-yl 4-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: isopropyl 4-(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-3-oxo-butanoate CAS Name: 4-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]thio]-3-oxobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]thio]-3-keto-butyric acid isopropyl ester Formula: C13H16N4O3S2 MolecularWeight: 340.42114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(=O)CSC1=NC(=NC(=C1C#N)SC)N

Isomeric SMILES

CC(C)OC(=O)CC(=O)CSC1=NC(=NC(=C1C#N)SC)N

InChI

InChI=1S/C13H16N4O3S2/c1-7(2)20-10(19)4-8(18)6-22-12-9(5-14)11(21-3)16-13(15)17-12/h7H,4,6H2,1-3H3,(H2,15,16,17)