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

Systemtic Name: ethyl 4-[2-azanylethyl(2,2-dimethylpropyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-aminoethyl(2,2-dimethylpropyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[2-aminoethyl(2,2-dimethylpropyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-aminoethyl(2,2-dimethylpropyl)amino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[2-aminoethyl(neopentyl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H26N4O2S MolecularWeight: 326.45754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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