(phenylmethyl) 2-[5-azanyl-4-[3-(dimethylcarbamoyl)phenoxy]-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-4-cyano-benzoate

Systemtic Name: (phenylmethyl) 2-[5-azanyl-4-[3-(dimethylcarbamoyl)phenoxy]-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-4-cyano-benzoate Openeye Name: benzyl 2-[5-amino-4-(benzylamino)-6-[3-(dimethylcarbamoyl)phenoxy]pyrimidin-2-yl]oxy-4-cyano-benzoate CAS Name: 2-[[5-amino-4-[3-[dimethylamino(oxo)methyl]phenoxy]-6-[(phenylmethyl)amino]-2-pyrimidinyl]oxy]-4-cyanobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-amino-4-(benzylamino)-6-[3-(dimethylcarbamoyl)phenoxy]pyrimidin-2-yl]oxy-4-cyanobenzoate Traditional Name: 2-[5-amino-4-(benzylamino)-6-[3-(dimethylcarbamoyl)phenoxy]pyrimidin-2-yl]oxy-4-cyano-benzoic acid benzyl ester Formula: C35H30N6O5 MolecularWeight: 614.6499

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=NC(=C2N)NCC3=CC=CC=C3)OC4=C(C=CC(=C4)C#N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=NC(=C2N)NCC3=CC=CC=C3)OC4=C(C=CC(=C4)C#N)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C35H30N6O5/c1-41(2)33(42)26-14-9-15-27(19-26)45-32-30(37)31(38-21-23-10-5-3-6-11-23)39-35(40-32)46-29-18-25(20-36)16-17-28(29)34(43)44-22-24-12-7-4-8-13-24/h3-19H,21-22,37H2,1-2H3,(H,38,39,40)