3-[[2-[3,5-bis(azanyl)phenoxy]-6-oxidanylidene-7,8-dihydro-5H-pteridin-4-yl]oxy]-5-ethoxy-benzenecarbonitrile

Systemtic Name: 3-[[2-[3,5-bis(azanyl)phenoxy]-6-oxidanylidene-7,8-dihydro-5H-pteridin-4-yl]oxy]-5-ethoxy-benzenecarbonitrile Openeye Name: 3-[[2-(3,5-diaminophenoxy)-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]-5-ethoxy-benzonitrile CAS Name: 3-[[2-(3,5-diaminophenoxy)-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]-5-ethoxybenzonitrile IUPAC Name: 3-[[2-(3,5-diaminophenoxy)-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]-5-ethoxybenzonitrile Traditional Name: 3-[[2-(3,5-diaminophenoxy)-6-keto-7,8-dihydro-5H-pteridin-4-yl]oxy]-5-ethoxy-benzonitrile Formula: C21H19N7O4 MolecularWeight: 433.42006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC2=NC(=NC3=C2NC(=O)CN3)OC4=CC(=CC(=C4)N)N)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC2=NC(=NC3=C2NC(=O)CN3)OC4=CC(=CC(=C4)N)N)C#N

InChI

InChI=1S/C21H19N7O4/c1-2-30-14-3-11(9-22)4-15(8-14)31-20-18-19(25-10-17(29)26-18)27-21(28-20)32-16-6-12(23)5-13(24)7-16/h3-8H,2,10,23-24H2,1H3,(H,26,29)(H,25,27,28)