ethyl 4-[[4-(5-cyano-2-methyl-phenoxy)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoate

Systemtic Name: ethyl 4-[[4-(5-cyano-2-methyl-phenoxy)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoate Openeye Name: ethyl 4-[[4-(5-cyano-2-methyl-phenoxy)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoate CAS Name: 4-[[4-(5-cyano-2-methylphenoxy)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(5-cyano-2-methylphenoxy)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoate Traditional Name: 4-[[4-(5-cyano-2-methyl-phenoxy)-6-keto-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoic acid ethyl ester Formula: C23H19N5O5 MolecularWeight: 445.42746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C#N)C)NC(=O)CN3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C#N)C)NC(=O)CN3

InChI

InChI=1S/C23H19N5O5/c1-3-31-22(30)15-6-8-16(9-7-15)32-23-27-20-19(26-18(29)12-25-20)21(28-23)33-17-10-14(11-24)5-4-13(17)2/h4-10H,3,12H2,1-2H3,(H,26,29)(H,25,27,28)