7-(tert-butylcarbamoylamino)-2-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 7-(tert-butylcarbamoylamino)-2-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 7-(tert-butylcarbamoylamino)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 7-[[(tert-butylamino)-oxomethyl]amino]-2-[4-(1-piperazinyl)anilino]-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 7-(tert-butylcarbamoylamino)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 7-(tert-butylcarbamoylamino)-2-(4-piperazinoanilino)pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C23H28N8O3 MolecularWeight: 464.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=C(C=C2C=NC(=NC2=N1)NC3=CC=C(C=C3)N4CCNCC4)C(=O)O

Isomeric SMILES

CC(C)(C)NC(=O)NC1=C(C=C2C=NC(=NC2=N1)NC3=CC=C(C=C3)N4CCNCC4)C(=O)O

InChI

InChI=1S/C23H28N8O3/c1-23(2,3)30-22(34)29-19-17(20(32)33)12-14-13-25-21(28-18(14)27-19)26-15-4-6-16(7-5-15)31-10-8-24-9-11-31/h4-7,12-13,24H,8-11H2,1-3H3,(H,32,33)(H3,25,26,27,28,29,30,34)