3-[5-azanyl-2-(5-cyano-2-ethoxy-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide

Systemtic Name: 3-[5-azanyl-2-(5-cyano-2-ethoxy-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[5-amino-6-(benzylamino)-2-(5-cyano-2-ethoxy-phenoxy)pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[5-amino-2-(5-cyano-2-ethoxyphenoxy)-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[5-amino-6-(benzylamino)-2-(5-cyano-2-ethoxyphenoxy)pyrimidin-4-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[5-amino-6-(benzylamino)-2-(5-cyano-2-ethoxy-phenoxy)pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Formula: C29H28N6O4 MolecularWeight: 524.57042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C#N)OC2=NC(=C(C(=N2)OC3=CC=CC(=C3)C(=O)N(C)C)N)NCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C(C=C1)C#N)OC2=NC(=C(C(=N2)OC3=CC=CC(=C3)C(=O)N(C)C)N)NCC4=CC=CC=C4

InChI

InChI=1S/C29H28N6O4/c1-4-37-23-14-13-20(17-30)15-24(23)39-29-33-26(32-18-19-9-6-5-7-10-19)25(31)27(34-29)38-22-12-8-11-21(16-22)28(36)35(2)3/h5-16H,4,18,31H2,1-3H3,(H,32,33,34)