ethanedioic acid; N-[(8-ethynyl-6-fluoranyl-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-yl-propane-1,3-diamine

Systemtic Name: ethanedioic acid; N-[(8-ethynyl-6-fluoranyl-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-yl-propane-1,3-diamine Openeye Name: N-[(8-ethynyl-6-fluoro-chroman-2-yl)methyl]-N'-pyrimidin-2-yl-propane-1,3-diamine; oxalic acid CAS Name: N-[(8-ethynyl-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)methyl]-N'-(2-pyrimidinyl)propane-1,3-diamine; oxalic acid IUPAC Name: N-[(8-ethynyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine; oxalic acid Traditional Name: (8-ethynyl-6-fluoro-chroman-2-yl)methyl-[3-(2-pyrimidylamino)propyl]amine; oxalic acid Formula: C21H23FN4O5 MolecularWeight: 430.429523

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC2=C1OC(CC2)CNCCCNC3=NC=CC=N3)F.C(=O)(C(=O)O)O

Isomeric SMILES

C#CC1=CC(=CC2=C1OC(CC2)CNCCCNC3=NC=CC=N3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21FN4O.C2H2O4/c1-2-14-11-16(20)12-15-5-6-17(25-18(14)15)13-21-7-3-8-22-19-23-9-4-10-24-19;3-1(4)2(5)6/h1,4,9-12,17,21H,3,5-8,13H2,(H,22,23,24);(H,3,4)(H,5,6)