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

Systemtic Name: N-[6-[3-(2-azanylpyrimidin-4-yl)pyridin-2-yl]oxypyridin-3-yl]-4-(3-methylsulfonylphenyl)phthalazin-1-amine Openeye Name: N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridyl]oxy]-3-pyridyl]-4-(3-methylsulfonylphenyl)phthalazin-1-amine CAS Name: N-[6-[[3-(2-amino-4-pyrimidinyl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(3-methylsulfonylphenyl)-1-phthalazinamine IUPAC Name: N-[6-[3-(2-aminopyrimidin-4-yl)pyridin-2-yl]oxypyridin-3-yl]-4-(3-methylsulfonylphenyl)phthalazin-1-amine Traditional Name: [6-[[3-(2-aminopyrimidin-4-yl)-2-pyridyl]oxy]-3-pyridyl]-[4-(3-mesylphenyl)phthalazin-1-yl]amine Formula: C29H22N8O3S MolecularWeight: 562.60178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H22N8O3S/c1-41(38,39)20-7-4-6-18(16-20)26-21-8-2-3-9-22(21)27(37-36-26)34-19-11-12-25(33-17-19)40-28-23(10-5-14-31-28)24-13-15-32-29(30)35-24/h2-17H,1H3,(H,34,37)(H2,30,32,35)