N-[4-[3-(2-azanylpyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(4-methylthiophen-2-yl)isoquinolin-1-amine

Systemtic Name: N-[4-[3-(2-azanylpyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(4-methylthiophen-2-yl)isoquinolin-1-amine Openeye Name: N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridyl]oxy]phenyl]-4-(4-methyl-2-thienyl)isoquinolin-1-amine CAS Name: N-[4-[[3-(2-amino-4-pyrimidinyl)-2-pyridinyl]oxy]phenyl]-4-(4-methyl-2-thiophenyl)-1-isoquinolinamine IUPAC Name: N-[4-[3-(2-aminopyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(4-methylthiophen-2-yl)isoquinolin-1-amine Traditional Name: [4-[[3-(2-aminopyrimidin-4-yl)-2-pyridyl]oxy]phenyl]-[4-(4-methyl-2-thienyl)-1-isoquinolyl]amine Formula: C29H22N6OS MolecularWeight: 502.58958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=CN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC5=C(C=CC=N5)C6=NC(=NC=C6)N

Isomeric SMILES

CC1=CSC(=C1)C2=CN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC5=C(C=CC=N5)C6=NC(=NC=C6)N

InChI

InChI=1S/C29H22N6OS/c1-18-15-26(37-17-18)24-16-33-27(22-6-3-2-5-21(22)24)34-19-8-10-20(11-9-19)36-28-23(7-4-13-31-28)25-12-14-32-29(30)35-25/h2-17H,1H3,(H,33,34)(H2,30,32,35)