methyl 4-[5-[5-bromanyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]butanoate

Systemtic Name: methyl 4-[5-[5-bromanyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]butanoate Openeye Name: methyl 4-[5-[5-bromo-2-[(2,2,6,6-tetramethyl-4-piperidyl)amino]pyrimidin-4-yl]-2-thienyl]butanoate CAS Name: 4-[5-[5-bromo-2-[(2,2,6,6-tetramethyl-4-piperidinyl)amino]-4-pyrimidinyl]-2-thiophenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[5-[5-bromo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]butanoate Traditional Name: 4-[5-[5-bromo-2-[(2,2,6,6-tetramethyl-4-piperidyl)amino]pyrimidin-4-yl]-2-thienyl]butyric acid methyl ester Formula: C22H31BrN4O2S MolecularWeight: 495.47614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(N1)(C)C)NC2=NC=C(C(=N2)C3=CC=C(S3)CCCC(=O)OC)Br)C

Isomeric SMILES

CC1(CC(CC(N1)(C)C)NC2=NC=C(C(=N2)C3=CC=C(S3)CCCC(=O)OC)Br)C

InChI

InChI=1S/C22H31BrN4O2S/c1-21(2)11-14(12-22(3,4)27-21)25-20-24-13-16(23)19(26-20)17-10-9-15(30-17)7-6-8-18(28)29-5/h9-10,13-14,27H,6-8,11-12H2,1-5H3,(H,24,25,26)