1-[1-(2-dimethylaminoethyl)piperidin-4-yl]-3-[6-(2-fluoranyl-4-nitro-phenoxy)pyrimidin-4-yl]-1-methyl-urea

Systemtic Name: 1-[1-(2-dimethylaminoethyl)piperidin-4-yl]-3-[6-(2-fluoranyl-4-nitro-phenoxy)pyrimidin-4-yl]-1-methyl-urea Openeye Name: 1-[1-(2-dimethylaminoethyl)-4-piperidyl]-3-[6-(2-fluoro-4-nitro-phenoxy)pyrimidin-4-yl]-1-methyl-urea CAS Name: 1-[1-(2-dimethylaminoethyl)-4-piperidinyl]-3-[6-(2-fluoro-4-nitrophenoxy)-4-pyrimidinyl]-1-methylurea IUPAC Name: 1-[1-(2-dimethylaminoethyl)piperidin-4-yl]-3-[6-(2-fluoro-4-nitrophenoxy)pyrimidin-4-yl]-1-methylurea Traditional Name: 1-[1-(2-dimethylaminoethyl)-4-piperidyl]-3-[6-(2-fluoro-4-nitro-phenoxy)pyrimidin-4-yl]-1-methyl-urea Formula: C21H28FN7O4 MolecularWeight: 461.489923

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1CCC(CC1)N(C)C(=O)NC2=CC(=NC=N2)OC3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

CN(C)CCN1CCC(CC1)N(C)C(=O)NC2=CC(=NC=N2)OC3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C21H28FN7O4/c1-26(2)10-11-28-8-6-15(7-9-28)27(3)21(30)25-19-13-20(24-14-23-19)33-18-5-4-16(29(31)32)12-17(18)22/h4-5,12-15H,6-11H2,1-3H3,(H,23,24,25,30)