2-[1-[7-(4-bromanyl-2,6-dimethyl-phenyl)-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[7-(4-bromanyl-2,6-dimethyl-phenyl)-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[7-(4-bromo-2,6-dimethyl-phenyl)-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidyl]acetic acid CAS Name: 2-[1-[7-(4-bromo-2,6-dimethylphenyl)-2,5,6-trimethyl-4-pyrrolo[2,3-d]pyrimidinyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[7-(4-bromo-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[7-(4-bromo-2,6-dimethyl-phenyl)-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidyl]acetic acid Formula: C24H29BrN4O2 MolecularWeight: 485.41666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2C(=C(C3=C2N=C(N=C3N4CCC(CC4)CC(=O)O)C)C)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1N2C(=C(C3=C2N=C(N=C3N4CCC(CC4)CC(=O)O)C)C)C)C)Br

InChI

InChI=1S/C24H29BrN4O2/c1-13-10-19(25)11-14(2)22(13)29-16(4)15(3)21-23(26-17(5)27-24(21)29)28-8-6-18(7-9-28)12-20(30)31/h10-11,18H,6-9,12H2,1-5H3,(H,30,31)