N-[4-[3-(2-azanylpyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(6-methylpyridin-2-yl)phthalazin-1-amine

Systemtic Name: N-[4-[3-(2-azanylpyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(6-methylpyridin-2-yl)phthalazin-1-amine Openeye Name: N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridyl]oxy]phenyl]-4-(6-methyl-2-pyridyl)phthalazin-1-amine CAS Name: N-[4-[[3-(2-amino-4-pyrimidinyl)-2-pyridinyl]oxy]phenyl]-4-(6-methyl-2-pyridinyl)-1-phthalazinamine IUPAC Name: N-[4-[3-(2-aminopyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(6-methylpyridin-2-yl)phthalazin-1-amine Traditional Name: [4-[[3-(2-aminopyrimidin-4-yl)-2-pyridyl]oxy]phenyl]-[4-(6-methyl-2-pyridyl)phthalazin-1-yl]amine Formula: C29H22N8O MolecularWeight: 498.53798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC5=C(C=CC=N5)C6=NC(=NC=C6)N

Isomeric SMILES

CC1=CC=CC(=N1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC5=C(C=CC=N5)C6=NC(=NC=C6)N

InChI

InChI=1S/C29H22N8O/c1-18-6-4-10-25(33-18)26-21-7-2-3-8-22(21)27(37-36-26)34-19-11-13-20(14-12-19)38-28-23(9-5-16-31-28)24-15-17-32-29(30)35-24/h2-17H,1H3,(H,34,37)(H2,30,32,35)