ethyl 4-[2-azanylethyl(2,2-dimethylpropyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl 4-[2-azanylethyl(2,2-dimethylpropyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate; 4-methylbenzenesulfonic acid Openeye Name: ethyl 4-[2-aminoethyl(2,2-dimethylpropyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate; 4-methylbenzenesulfonic acid CAS Name: 4-[2-aminoethyl(2,2-dimethylpropyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: ethyl 4-[2-aminoethyl(2,2-dimethylpropyl)amino]-2-methylsulfanylpyrimidine-5-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: 4-[2-aminoethyl(neopentyl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester; tosylic acid Formula: C22H34N4O5S2 MolecularWeight: 498.65916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N(CCN)CC(C)(C)C)SC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N(CCN)CC(C)(C)C)SC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C15H26N4O2S.C7H8O3S/c1-6-21-13(20)11-9-17-14(22-5)18-12(11)19(8-7-16)10-15(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h9H,6-8,10,16H2,1-5H3;2-5H,1H3,(H,8,9,10)