tert-butyl 3-[[4-(3-azanyl-4-cyano-phenoxy)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoate

Systemtic Name: tert-butyl 3-[[4-(3-azanyl-4-cyano-phenoxy)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoate Openeye Name: tert-butyl 3-[[4-(3-amino-4-cyano-phenoxy)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoate CAS Name: 3-[[4-(3-amino-4-cyanophenoxy)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-(3-amino-4-cyanophenoxy)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoate Traditional Name: 3-[[4-(3-amino-4-cyano-phenoxy)-6-keto-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoic acid tert-butyl ester Formula: C24H22N6O5 MolecularWeight: 474.46868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N6O5/c1-24(2,3)35-22(32)13-5-4-6-15(9-13)34-23-29-20-19(28-18(31)12-27-20)21(30-23)33-16-8-7-14(11-25)17(26)10-16/h4-10H,12,26H2,1-3H3,(H,28,31)(H,27,29,30)