1-[4-[4-[4-chloranyl-6-(methoxymethyl)-1,3,5-triazin-2-yl]-3,5-dimethyl-piperazin-1-yl]pyrimidin-2-yl]ethyl butanoate

Systemtic Name: 1-[4-[4-[4-chloranyl-6-(methoxymethyl)-1,3,5-triazin-2-yl]-3,5-dimethyl-piperazin-1-yl]pyrimidin-2-yl]ethyl butanoate Openeye Name: 1-[4-[4-[4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-yl]-3,5-dimethyl-piperazin-1-yl]pyrimidin-2-yl]ethyl butanoate CAS Name: butanoic acid 1-[4-[4-[4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-yl]-3,5-dimethyl-1-piperazinyl]-2-pyrimidinyl]ethyl ester IUPAC Name: 1-[4-[4-[4-chloro-6-(methoxymethyl)-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethyl butanoate Traditional Name: butyric acid 1-[4-[4-[4-chloro-6-(methoxymethyl)-s-triazin-2-yl]-3,5-dimethyl-piperazino]pyrimidin-2-yl]ethyl ester Formula: C21H30ClN7O3 MolecularWeight: 463.961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)C1=NC=CC(=N1)N2CC(N(C(C2)C)C3=NC(=NC(=N3)COC)Cl)C

Isomeric SMILES

CCCC(=O)OC(C)C1=NC=CC(=N1)N2CC(N(C(C2)C)C3=NC(=NC(=N3)COC)Cl)C

InChI

InChI=1S/C21H30ClN7O3/c1-6-7-18(30)32-15(4)19-23-9-8-17(26-19)28-10-13(2)29(14(3)11-28)21-25-16(12-31-5)24-20(22)27-21/h8-9,13-15H,6-7,10-12H2,1-5H3