3-[[2-[[4-(2-dimethylaminoethyloxy)phenyl]amino]-5-fluoranyl-pyrimidin-4-yl]amino]phenol

Systemtic Name: 3-[[2-[[4-(2-dimethylaminoethyloxy)phenyl]amino]-5-fluoranyl-pyrimidin-4-yl]amino]phenol Openeye Name: 3-[[2-[4-(2-dimethylaminoethyloxy)anilino]-5-fluoro-pyrimidin-4-yl]amino]phenol CAS Name: 3-[[2-[4-(2-dimethylaminoethyloxy)anilino]-5-fluoro-4-pyrimidinyl]amino]phenol IUPAC Name: 3-[[2-[4-(2-dimethylaminoethyloxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenol Traditional Name: 3-[[2-[4-(2-dimethylaminoethyloxy)anilino]-5-fluoro-pyrimidin-4-yl]amino]phenol Formula: C20H22FN5O2 MolecularWeight: 383.419383

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)O)F

Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)O)F

InChI

InChI=1S/C20H22FN5O2/c1-26(2)10-11-28-17-8-6-14(7-9-17)24-20-22-13-18(21)19(25-20)23-15-4-3-5-16(27)12-15/h3-9,12-13,27H,10-11H2,1-2H3,(H2,22,23,24,25)