3-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-1-[6-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]amino]pyrimidin-4-yl]-1-methyl-urea

Systemtic Name: 3-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-1-[6-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]amino]pyrimidin-4-yl]-1-methyl-urea Openeye Name: 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-[6-[[6-(4-ethylpiperazin-1-yl)-3-pyridyl]amino]pyrimidin-4-yl]-1-methyl-urea CAS Name: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[[6-(4-ethyl-1-piperazinyl)-3-pyridinyl]amino]-4-pyrimidinyl]-1-methylurea IUPAC Name: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]amino]pyrimidin-4-yl]-1-methylurea Traditional Name: 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-[6-[[6-(4-ethylpiperazino)-3-pyridyl]amino]pyrimidin-4-yl]-1-methyl-urea Formula: C25H30Cl2N8O3 MolecularWeight: 561.4635

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl

InChI

InChI=1S/C25H30Cl2N8O3/c1-5-34-8-10-35(11-9-34)20-7-6-16(14-28-20)31-19-13-21(30-15-29-19)33(2)25(36)32-24-22(26)17(37-3)12-18(38-4)23(24)27/h6-7,12-15H,5,8-11H2,1-4H3,(H,32,36)(H,29,30,31)