5-(4-fluorophenyl)-3-methyl-2-(2-piperazin-1-ylethylamino)-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 5-(4-fluorophenyl)-3-methyl-2-(2-piperazin-1-ylethylamino)-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 5-(4-fluorophenyl)-3-methyl-2-(2-piperazin-1-ylethylamino)-6-(4-pyridyl)pyrimidin-4-one CAS Name: 5-(4-fluorophenyl)-3-methyl-2-[2-(1-piperazinyl)ethylamino]-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 5-(4-fluorophenyl)-3-methyl-2-(2-piperazin-1-ylethylamino)-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 5-(4-fluorophenyl)-3-methyl-2-(2-piperazinoethylamino)-6-(4-pyridyl)pyrimidin-4-one Formula: C22H25FN6O MolecularWeight: 408.471903

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1NCCN2CCNCC2)C3=CC=NC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C(=O)C(=C(N=C1NCCN2CCNCC2)C3=CC=NC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN6O/c1-28-21(30)19(16-2-4-18(23)5-3-16)20(17-6-8-24-9-7-17)27-22(28)26-12-15-29-13-10-25-11-14-29/h2-9,25H,10-15H2,1H3,(H,26,27)