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

Systemtic Name: 4-[4-[(6-bromanyl-8-cyclopentyl-4-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2-tert-butyl-piperazine-1-carboxylic acid Openeye Name: 4-[4-[(6-bromo-8-cyclopentyl-4-methyl-7-oxo-pyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2-tert-butyl-piperazine-1-carboxylic acid CAS Name: 4-[4-[(6-bromo-8-cyclopentyl-4-methyl-7-oxo-2-pyrido[2,3-d]pyrimidinyl)amino]phenyl]-2-tert-butyl-1-piperazinecarboxylic acid IUPAC Name: 4-[4-[(6-bromo-8-cyclopentyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2-tert-butylpiperazine-1-carboxylic acid Traditional Name: 4-[4-[(6-bromo-8-cyclopentyl-7-keto-4-methyl-pyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2-tert-butyl-piperazine-1-carboxylic acid Formula: C28H35BrN6O3 MolecularWeight: 583.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)N(C2=NC(=N1)NC3=CC=C(C=C3)N4CCN(C(C4)C(C)(C)C)C(=O)O)C5CCCC5)Br

Isomeric SMILES

CC1=C2C=C(C(=O)N(C2=NC(=N1)NC3=CC=C(C=C3)N4CCN(C(C4)C(C)(C)C)C(=O)O)C5CCCC5)Br

InChI

InChI=1S/C28H35BrN6O3/c1-17-21-15-22(29)25(36)35(20-7-5-6-8-20)24(21)32-26(30-17)31-18-9-11-19(12-10-18)33-13-14-34(27(37)38)23(16-33)28(2,3)4/h9-12,15,20,23H,5-8,13-14,16H2,1-4H3,(H,37,38)(H,30,31,32)