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

Systemtic Name: 2-tert-butyl-4-[4-[(8-cyclopentyl-4-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]carbonyl-piperazine-1-carboxylic acid Openeye Name: 2-tert-butyl-4-[4-[(8-cyclopentyl-4-methyl-7-oxo-pyrido[2,3-d]pyrimidin-2-yl)amino]benzoyl]piperazine-1-carboxylic acid CAS Name: 2-tert-butyl-4-[[4-[(8-cyclopentyl-4-methyl-7-oxo-2-pyrido[2,3-d]pyrimidinyl)amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 2-tert-butyl-4-[4-[(8-cyclopentyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]benzoyl]piperazine-1-carboxylic acid Traditional Name: 2-tert-butyl-4-[4-[(8-cyclopentyl-7-keto-4-methyl-pyrido[2,3-d]pyrimidin-2-yl)amino]benzoyl]piperazine-1-carboxylic acid Formula: C29H36N6O4 MolecularWeight: 532.63394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N6O4/c1-18-22-13-14-24(36)35(21-7-5-6-8-21)25(22)32-27(30-18)31-20-11-9-19(10-12-20)26(37)33-15-16-34(28(38)39)23(17-33)29(2,3)4/h9-14,21,23H,5-8,15-17H2,1-4H3,(H,38,39)(H,30,31,32)