4-[2-azanylethyl(2,2-dimethylpropyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[2-azanylethyl(2,2-dimethylpropyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-aminoethyl(2,2-dimethylpropyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-[2-aminoethyl(2,2-dimethylpropyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-aminoethyl(2,2-dimethylpropyl)amino]-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[2-aminoethyl(neopentyl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C13H22N4O2S MolecularWeight: 298.40438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN(CCN)C1=NC(=NC=C1C(=O)O)SC

Isomeric SMILES

CC(C)(C)CN(CCN)C1=NC(=NC=C1C(=O)O)SC

InChI

InChI=1S/C13H22N4O2S/c1-13(2,3)8-17(6-5-14)10-9(11(18)19)7-15-12(16-10)20-4/h7H,5-6,8,14H2,1-4H3,(H,18,19)