N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-fluoranyl-naphthalene-1-carboxamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-fluoranyl-naphthalene-1-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-fluoro-naphthalene-1-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-4-fluoro-1-naphthalenecarboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-4-fluoronaphthalene-1-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-fluoro-1-naphthamide Formula: C27H27FN6O2 MolecularWeight: 486.540683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC=C(C3=CC=CC=C32)F)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC=C(C3=CC=CC=C32)F)C4=CC=CC=C4

InChI

InChI=1S/C27H27FN6O2/c1-18(35)29-13-14-30-24-17-25(34-26(33-24)19-7-3-2-4-8-19)31-15-16-32-27(36)22-11-12-23(28)21-10-6-5-9-20(21)22/h2-12,17H,13-16H2,1H3,(H,29,35)(H,32,36)(H2,30,31,33,34)