ethyl 4-[6-(4-aminocarbonylpiperazin-1-yl)-2-methylsulfanyl-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-(4-aminocarbonylpiperazin-1-yl)-2-methylsulfanyl-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(4-carbamoylpiperazin-1-yl)-2-methylsulfanyl-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(4-carbamoyl-1-piperazinyl)-2-(methylthio)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(4-carbamoylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(4-carbamoylpiperazino)-2-(methylthio)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H27N7O3S MolecularWeight: 409.50638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2)N3CCN(CC3)C(=O)N)SC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2)N3CCN(CC3)C(=O)N)SC

InChI

InChI=1S/C17H27N7O3S/c1-3-27-17(26)24-10-6-22(7-11-24)14-12-13(19-16(20-14)28-2)21-4-8-23(9-5-21)15(18)25/h12H,3-11H2,1-2H3,(H2,18,25)