N-[4-[3-(2-azanylpyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(3-methyl-1,2-thiazol-5-yl)phthalazin-1-amine

Systemtic Name: N-[4-[3-(2-azanylpyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(3-methyl-1,2-thiazol-5-yl)phthalazin-1-amine Openeye Name: N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridyl]oxy]phenyl]-4-(3-methylisothiazol-5-yl)phthalazin-1-amine CAS Name: N-[4-[[3-(2-amino-4-pyrimidinyl)-2-pyridinyl]oxy]phenyl]-4-(3-methyl-5-isothiazolyl)-1-phthalazinamine IUPAC Name: N-[4-[3-(2-aminopyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(3-methyl-1,2-thiazol-5-yl)phthalazin-1-amine Traditional Name: [4-[[3-(2-aminopyrimidin-4-yl)-2-pyridyl]oxy]phenyl]-[4-(3-methylisothiazol-5-yl)phthalazin-1-yl]amine Formula: C27H20N8OS MolecularWeight: 504.5657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1)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=NSC(=C1)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/C27H20N8OS/c1-16-15-23(37-35-16)24-19-5-2-3-6-20(19)25(34-33-24)31-17-8-10-18(11-9-17)36-26-21(7-4-13-29-26)22-12-14-30-27(28)32-22/h2-15H,1H3,(H,31,34)(H2,28,30,32)