2-[4-[(5-azanyl-6-naphthalen-2-yloxy-pyrimidin-4-yl)amino]-2-chloranyl-5-methyl-phenyl]-2-(4-chlorophenyl)ethanenitrile

Systemtic Name: 2-[4-[(5-azanyl-6-naphthalen-2-yloxy-pyrimidin-4-yl)amino]-2-chloranyl-5-methyl-phenyl]-2-(4-chlorophenyl)ethanenitrile Openeye Name: 2-[4-[[5-amino-6-(2-naphthyloxy)pyrimidin-4-yl]amino]-2-chloro-5-methyl-phenyl]-2-(4-chlorophenyl)acetonitrile CAS Name: 2-[4-[[5-amino-6-(2-naphthalenyloxy)-4-pyrimidinyl]amino]-2-chloro-5-methylphenyl]-2-(4-chlorophenyl)acetonitrile IUPAC Name: 2-[4-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]-2-chloro-5-methylphenyl]-2-(4-chlorophenyl)acetonitrile Traditional Name: 2-[4-[[5-amino-6-(2-naphthoxy)pyrimidin-4-yl]amino]-2-chloro-5-methyl-phenyl]-2-(4-chlorophenyl)acetonitrile Formula: C29H21Cl2N5O MolecularWeight: 526.41594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC2=C(C(=NC=N2)OC3=CC4=CC=CC=C4C=C3)N)Cl)C(C#N)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC(=C(C=C1NC2=C(C(=NC=N2)OC3=CC4=CC=CC=C4C=C3)N)Cl)C(C#N)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H21Cl2N5O/c1-17-12-23(24(15-32)19-6-9-21(30)10-7-19)25(31)14-26(17)36-28-27(33)29(35-16-34-28)37-22-11-8-18-4-2-3-5-20(18)13-22/h2-14,16,24H,33H2,1H3,(H,34,35,36)