ethyl 2-methyl-3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 2-methyl-3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate CAS Name: 2-methyl-3-[[5-methyl-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate Traditional Name: 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazino)anilino]pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C26H32N6O2 MolecularWeight: 460.57128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)NC2=NC(=NC=C2C)NC3=CC=C(C=C3)N4CCN(CC4)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)NC2=NC(=NC=C2C)NC3=CC=C(C=C3)N4CCN(CC4)C)C

InChI

InChI=1S/C26H32N6O2/c1-5-34-25(33)22-7-6-8-23(19(22)3)29-24-18(2)17-27-26(30-24)28-20-9-11-21(12-10-20)32-15-13-31(4)14-16-32/h6-12,17H,5,13-16H2,1-4H3,(H2,27,28,29,30)