1-[4-[[4-[3-(2-azanylpyrimidin-4-yl)pyridin-2-yl]oxyphenyl]amino]phthalazin-1-yl]piperidin-3-ol

Systemtic Name: 1-[4-[[4-[3-(2-azanylpyrimidin-4-yl)pyridin-2-yl]oxyphenyl]amino]phthalazin-1-yl]piperidin-3-ol Openeye Name: 1-[4-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridyl]oxy]anilino]phthalazin-1-yl]piperidin-3-ol CAS Name: 1-[4-[4-[[3-(2-amino-4-pyrimidinyl)-2-pyridinyl]oxy]anilino]-1-phthalazinyl]-3-piperidinol IUPAC Name: 1-[4-[4-[3-(2-aminopyrimidin-4-yl)pyridin-2-yl]oxyanilino]phthalazin-1-yl]piperidin-3-ol Traditional Name: 1-[4-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridyl]oxy]anilino]phthalazin-1-yl]piperidin-3-ol Formula: C28H26N8O2 MolecularWeight: 506.55844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC5=C(C=CC=N5)C6=NC(=NC=C6)N)O

Isomeric SMILES

C1CC(CN(C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC5=C(C=CC=N5)C6=NC(=NC=C6)N)O

InChI

InChI=1S/C28H26N8O2/c29-28-31-15-13-24(33-28)23-8-3-14-30-27(23)38-20-11-9-18(10-12-20)32-25-21-6-1-2-7-22(21)26(35-34-25)36-16-4-5-19(37)17-36/h1-3,6-15,19,37H,4-5,16-17H2,(H,32,34)(H2,29,31,33)