4-tert-butyl-3-[[7-(2,3-dihydro-1H-indol-3-ylmethyl)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]benzenecarbonitrile

Systemtic Name: 4-tert-butyl-3-[[7-(2,3-dihydro-1H-indol-3-ylmethyl)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]benzenecarbonitrile Openeye Name: 4-tert-butyl-3-[[7-(indolin-3-ylmethyl)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]benzonitrile CAS Name: 4-tert-butyl-3-[[7-(2,3-dihydro-1H-indol-3-ylmethyl)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]benzonitrile IUPAC Name: 4-tert-butyl-3-[[7-(2,3-dihydro-1H-indol-3-ylmethyl)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]benzonitrile Traditional Name: 4-tert-butyl-3-[[7-(indolin-3-ylmethyl)-6-keto-7,8-dihydro-5H-pteridin-2-yl]oxy]benzonitrile Formula: C26H26N6O2 MolecularWeight: 454.52364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C#N)OC2=NC=C3C(=N2)NC(C(=O)N3)CC4CNC5=CC=CC=C45

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C#N)OC2=NC=C3C(=N2)NC(C(=O)N3)CC4CNC5=CC=CC=C45

InChI

InChI=1S/C26H26N6O2/c1-26(2,3)18-9-8-15(12-27)10-22(18)34-25-29-14-21-23(32-25)30-20(24(33)31-21)11-16-13-28-19-7-5-4-6-17(16)19/h4-10,14,16,20,28H,11,13H2,1-3H3,(H,31,33)(H,29,30,32)