tert-butyl 4-[6-[(6-bromanyl-8-cyclopentyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-[(6-bromanyl-8-cyclopentyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-[(6-bromo-8-cyclopentyl-7-oxo-pyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridyl]piperazine-1-carboxylate CAS Name: 4-[6-[(6-bromo-8-cyclopentyl-7-oxo-2-pyrido[2,3-d]pyrimidinyl)amino]-3-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-[(6-bromo-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[(6-bromo-8-cyclopentyl-7-keto-pyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H32BrN7O3 MolecularWeight: 570.48138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C(C(=O)N(C4=N3)C5CCCC5)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C(C(=O)N(C4=N3)C5CCCC5)Br

InChI

InChI=1S/C26H32BrN7O3/c1-26(2,3)37-25(36)33-12-10-32(11-13-33)19-8-9-21(28-16-19)30-24-29-15-17-14-20(27)23(35)34(22(17)31-24)18-6-4-5-7-18/h8-9,14-16,18H,4-7,10-13H2,1-3H3,(H,28,29,30,31)