4-tert-butyl-2-[7-[2-[(phenylmethyl)amino]pyridin-4-yl]imidazo[1,2-c]pyrimidin-5-yl]-2,5-diazabicyclo[2.2.1]heptane-3-carboxylic acid

Systemtic Name: 4-tert-butyl-2-[7-[2-[(phenylmethyl)amino]pyridin-4-yl]imidazo[1,2-c]pyrimidin-5-yl]-2,5-diazabicyclo[2.2.1]heptane-3-carboxylic acid Openeye Name: 2-[7-[2-(benzylamino)-4-pyridyl]imidazo[1,2-c]pyrimidin-5-yl]-4-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-3-carboxylic acid CAS Name: 4-tert-butyl-2-[7-[2-[(phenylmethyl)amino]-4-pyridinyl]-5-imidazo[1,2-c]pyrimidinyl]-2,5-diazabicyclo[2.2.1]heptane-3-carboxylic acid IUPAC Name: 2-[7-[2-(benzylamino)pyridin-4-yl]imidazo[1,2-c]pyrimidin-5-yl]-4-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-3-carboxylic acid Traditional Name: 2-[7-[2-(benzylamino)-4-pyridyl]imidazo[1,2-c]pyrimidin-5-yl]-4-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-3-carboxylic acid Formula: C28H31N7O2 MolecularWeight: 497.59144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C12CC(CN1)N(C2C(=O)O)C3=NC(=CC4=NC=CN43)C5=CC(=NC=C5)NCC6=CC=CC=C6

Isomeric SMILES

CC(C)(C)C12CC(CN1)N(C2C(=O)O)C3=NC(=CC4=NC=CN43)C5=CC(=NC=C5)NCC6=CC=CC=C6

InChI

InChI=1S/C28H31N7O2/c1-27(2,3)28-15-20(17-32-28)35(24(28)25(36)37)26-33-21(14-23-30-11-12-34(23)26)19-9-10-29-22(13-19)31-16-18-7-5-4-6-8-18/h4-14,20,24,32H,15-17H2,1-3H3,(H,29,31)(H,36,37)