N-[6-(4-azanyl-2-fluoranyl-phenoxy)pyrimidin-4-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-[6-(4-azanyl-2-fluoranyl-phenoxy)pyrimidin-4-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide Openeye Name: N-[6-(4-amino-2-fluoro-phenoxy)pyrimidin-4-yl]-4-(1-methyl-4-piperidyl)piperazine-1-carboxamide CAS Name: N-[6-(4-amino-2-fluorophenoxy)-4-pyrimidinyl]-4-(1-methyl-4-piperidinyl)-1-piperazinecarboxamide IUPAC Name: N-[6-(4-amino-2-fluorophenoxy)pyrimidin-4-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide Traditional Name: N-[6-(4-amino-2-fluoro-phenoxy)pyrimidin-4-yl]-4-(1-methyl-4-piperidyl)piperazine-1-carboxamide Formula: C21H28FN7O2 MolecularWeight: 429.491123

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCN(CC2)C(=O)NC3=CC(=NC=N3)OC4=C(C=C(C=C4)N)F

Isomeric SMILES

CN1CCC(CC1)N2CCN(CC2)C(=O)NC3=CC(=NC=N3)OC4=C(C=C(C=C4)N)F

InChI

InChI=1S/C21H28FN7O2/c1-27-6-4-16(5-7-27)28-8-10-29(11-9-28)21(30)26-19-13-20(25-14-24-19)31-18-3-2-15(23)12-17(18)22/h2-3,12-14,16H,4-11,23H2,1H3,(H,24,25,26,30)