1,1-Dimethylethyl 4-[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]-1-piperazinecarboxylate
CAS Registry Number®
1076199-23-9
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CAS Name
1,1-Dimethylethyl 4-[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]-1-piperazinecarboxylateMolecular Formula
C33H37N7O3Molecular Mass
579.69Cite this Page
1,1-Dimethylethyl 4-[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]-1-piperazinecarboxylate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1076199-23-9 (retrieved ) (CAS RN: 1076199-23-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C33H37N7O3/c1-23-7-12-27(20-29(23)38-31-35-15-13-28(37-31)26-6-5-14-34-21-26)36-30(41)25-10-8-24(9-11-25)22-39-16-18-40(19-17-39)32(42)43-33(2,3)4/h5-15,20-21H,16-19,22H2,1-4H3,(H,36,41)(H,35,37,38)
InChIKey
InChIKey=PNYCXPQYRFQURW-UHFFFAOYSA-N
SMILES
N(C=1N=C(C=CN1)C=2C=CC=NC2)C3=CC(NC(=O)C4=CC=C(CN5CCN(C(OC(C)(C)C)=O)CC5)C=C4)=CC=C3C
Canonical SMILES
O=C(OC(C)(C)C)N1CCN(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C(=C3)NC=4N=CC=C(N4)C5=CN=CC=C5)C)CC1
Other Names for this Substance
- 1-Piperazinecarboxylic acid, 4-[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]-, 1,1-dimethylethyl ester
- 1,1-Dimethylethyl 4-[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]-1-piperazinecarboxylate
