2-methylpropyl 2-[[5-bromanyl-2-[[4-(2-diethylaminoethyloxy)phenyl]amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 2-[[5-bromanyl-2-[[4-(2-diethylaminoethyloxy)phenyl]amino]pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 2-[[5-bromo-2-[4-(2-diethylaminoethyloxy)anilino]pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-bromo-2-[4-(2-diethylaminoethyloxy)anilino]-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[[5-bromo-2-[4-(2-diethylaminoethyloxy)anilino]pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-bromo-2-[4-(2-diethylaminoethyloxy)anilino]pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C27H34BrN5O3 MolecularWeight: 556.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)OCC(C)C)Br

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)OCC(C)C)Br

InChI

InChI=1S/C27H34BrN5O3/c1-5-33(6-2)15-16-35-21-13-11-20(12-14-21)30-27-29-17-23(28)25(32-27)31-24-10-8-7-9-22(24)26(34)36-18-19(3)4/h7-14,17,19H,5-6,15-16,18H2,1-4H3,(H2,29,30,31,32)