ethyl 4-[5-azanyl-4-(5-cyano-2-methyl-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxybenzoate

Systemtic Name: ethyl 4-[5-azanyl-4-(5-cyano-2-methyl-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxybenzoate Openeye Name: ethyl 4-[5-amino-4-(benzylamino)-6-(5-cyano-2-methyl-phenoxy)pyrimidin-2-yl]oxybenzoate CAS Name: 4-[[5-amino-4-(5-cyano-2-methylphenoxy)-6-[(phenylmethyl)amino]-2-pyrimidinyl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-amino-4-(benzylamino)-6-(5-cyano-2-methylphenoxy)pyrimidin-2-yl]oxybenzoate Traditional Name: 4-[5-amino-4-(benzylamino)-6-(5-cyano-2-methyl-phenoxy)pyrimidin-2-yl]oxybenzoic acid ethyl ester Formula: C28H25N5O4 MolecularWeight: 495.5292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=NC(=C(C(=N2)OC3=C(C=CC(=C3)C#N)C)N)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=NC(=C(C(=N2)OC3=C(C=CC(=C3)C#N)C)N)NCC4=CC=CC=C4

InChI

InChI=1S/C28H25N5O4/c1-3-35-27(34)21-11-13-22(14-12-21)36-28-32-25(31-17-19-7-5-4-6-8-19)24(30)26(33-28)37-23-15-20(16-29)10-9-18(23)2/h4-15H,3,17,30H2,1-2H3,(H,31,32,33)