3-[[5-fluoranyl-2-[[1-(phenylmethyl)piperidin-1-ium-1-yl]amino]pyrimidin-4-yl]amino]phenol

Systemtic Name: 3-[[5-fluoranyl-2-[[1-(phenylmethyl)piperidin-1-ium-1-yl]amino]pyrimidin-4-yl]amino]phenol Openeye Name: 3-[[2-[(1-benzylpiperidin-1-ium-1-yl)amino]-5-fluoro-pyrimidin-4-yl]amino]phenol CAS Name: 3-[[5-fluoro-2-[[1-(phenylmethyl)-1-piperidin-1-iumyl]amino]-4-pyrimidinyl]amino]phenol IUPAC Name: 3-[[2-[(1-benzylpiperidin-1-ium-1-yl)amino]-5-fluoropyrimidin-4-yl]amino]phenol Traditional Name: 3-[[2-[(1-benzylpiperidin-1-ium-1-yl)amino]-5-fluoro-pyrimidin-4-yl]amino]phenol Formula: C22H25FN5O+ MolecularWeight: 394.465203

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC2=CC=CC=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)O)F

Isomeric SMILES

C1CC[N+](CC1)(CC2=CC=CC=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)O)F

InChI

InChI=1S/C22H24FN5O/c23-20-15-24-22(26-21(20)25-18-10-7-11-19(29)14-18)27-28(12-5-2-6-13-28)16-17-8-3-1-4-9-17/h1,3-4,7-11,14-15H,2,5-6,12-13,16H2,(H2-,24,25,26,27,29)/p+1