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

Systemtic Name: 3-[6-(4-azanyl-2-fluoranyl-phenoxy)pyrimidin-4-yl]-1-[1-(2-dimethylaminoethyl)piperidin-4-yl]-1-methyl-urea Openeye Name: 3-[6-(4-amino-2-fluoro-phenoxy)pyrimidin-4-yl]-1-[1-(2-dimethylaminoethyl)-4-piperidyl]-1-methyl-urea CAS Name: 3-[6-(4-amino-2-fluorophenoxy)-4-pyrimidinyl]-1-[1-(2-dimethylaminoethyl)-4-piperidinyl]-1-methylurea IUPAC Name: 3-[6-(4-amino-2-fluorophenoxy)pyrimidin-4-yl]-1-[1-(2-dimethylaminoethyl)piperidin-4-yl]-1-methylurea Traditional Name: 3-[6-(4-amino-2-fluoro-phenoxy)pyrimidin-4-yl]-1-[1-(2-dimethylaminoethyl)-4-piperidyl]-1-methyl-urea Formula: C21H30FN7O2 MolecularWeight: 431.507003

Click to see the large picture

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)F

Isomeric SMILES

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

InChI

InChI=1S/C21H30FN7O2/c1-27(2)10-11-29-8-6-16(7-9-29)28(3)21(30)26-19-13-20(25-14-24-19)31-18-5-4-15(23)12-17(18)22/h4-5,12-14,16H,6-11,23H2,1-3H3,(H,24,25,26,30)