3-[[2-(5-cyano-2-phenylmethoxy-phenoxy)-6-oxidanylidene-7,8-dihydro-5H-pteridin-4-yl]oxy]-N,N-diethyl-benzamide

Systemtic Name: 3-[[2-(5-cyano-2-phenylmethoxy-phenoxy)-6-oxidanylidene-7,8-dihydro-5H-pteridin-4-yl]oxy]-N,N-diethyl-benzamide Openeye Name: 3-[[2-(2-benzyloxy-5-cyano-phenoxy)-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]-N,N-diethyl-benzamide CAS Name: 3-[[2-(5-cyano-2-phenylmethoxyphenoxy)-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]-N,N-diethylbenzamide IUPAC Name: 3-[[2-(5-cyano-2-phenylmethoxyphenoxy)-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]-N,N-diethylbenzamide Traditional Name: 3-[[2-(2-benzoxy-5-cyano-phenoxy)-6-keto-7,8-dihydro-5H-pteridin-4-yl]oxy]-N,N-diethyl-benzamide Formula: C31H28N6O5 MolecularWeight: 564.59122

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)OC2=NC(=NC3=C2NC(=O)CN3)OC4=C(C=CC(=C4)C#N)OCC5=CC=CC=C5

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)OC2=NC(=NC3=C2NC(=O)CN3)OC4=C(C=CC(=C4)C#N)OCC5=CC=CC=C5

InChI

InChI=1S/C31H28N6O5/c1-3-37(4-2)30(39)22-11-8-12-23(16-22)41-29-27-28(33-18-26(38)34-27)35-31(36-29)42-25-15-21(17-32)13-14-24(25)40-19-20-9-6-5-7-10-20/h5-16H,3-4,18-19H2,1-2H3,(H,34,38)(H,33,35,36)