3-[5-azanyl-2-(3-chloranyl-5-methoxy-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-4-ethoxy-benzenecarbonitrile

Systemtic Name: 3-[5-azanyl-2-(3-chloranyl-5-methoxy-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-4-ethoxy-benzenecarbonitrile Openeye Name: 3-[5-amino-6-(benzylamino)-2-(3-chloro-5-methoxy-phenoxy)pyrimidin-4-yl]oxy-4-ethoxy-benzonitrile CAS Name: 3-[[5-amino-2-(3-chloro-5-methoxyphenoxy)-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-4-ethoxybenzonitrile IUPAC Name: 3-[5-amino-6-(benzylamino)-2-(3-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxy-4-ethoxybenzonitrile Traditional Name: 3-[5-amino-6-(benzylamino)-2-(3-chloro-5-methoxy-phenoxy)pyrimidin-4-yl]oxy-4-ethoxy-benzonitrile Formula: C27H24ClN5O4 MolecularWeight: 517.96356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C#N)OC2=NC(=NC(=C2N)NCC3=CC=CC=C3)OC4=CC(=CC(=C4)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C#N)OC2=NC(=NC(=C2N)NCC3=CC=CC=C3)OC4=CC(=CC(=C4)Cl)OC

InChI

InChI=1S/C27H24ClN5O4/c1-3-35-22-10-9-18(15-29)11-23(22)37-26-24(30)25(31-16-17-7-5-4-6-8-17)32-27(33-26)36-21-13-19(28)12-20(14-21)34-2/h4-14H,3,16,30H2,1-2H3,(H,31,32,33)