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

Systemtic Name: (phenylmethyl) 2-[5-azanyl-4-(3-azanylphenoxy)-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-4-cyano-benzoate Openeye Name: benzyl 2-[5-amino-4-(3-aminophenoxy)-6-(benzylamino)pyrimidin-2-yl]oxy-4-cyano-benzoate CAS Name: 2-[[5-amino-4-(3-aminophenoxy)-6-[(phenylmethyl)amino]-2-pyrimidinyl]oxy]-4-cyanobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-amino-4-(3-aminophenoxy)-6-(benzylamino)pyrimidin-2-yl]oxy-4-cyanobenzoate Traditional Name: 2-[5-amino-4-(3-aminophenoxy)-6-(benzylamino)pyrimidin-2-yl]oxy-4-cyano-benzoic acid benzyl ester Formula: C32H26N6O4 MolecularWeight: 558.58664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC(=N2)OC3=C(C=CC(=C3)C#N)C(=O)OCC4=CC=CC=C4)OC5=CC=CC(=C5)N)N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC(=N2)OC3=C(C=CC(=C3)C#N)C(=O)OCC4=CC=CC=C4)OC5=CC=CC(=C5)N)N

InChI

InChI=1S/C32H26N6O4/c33-18-23-14-15-26(31(39)40-20-22-10-5-2-6-11-22)27(16-23)42-32-37-29(36-19-21-8-3-1-4-9-21)28(35)30(38-32)41-25-13-7-12-24(34)17-25/h1-17H,19-20,34-35H2,(H,36,37,38)