3-[8-(2-methoxyethyl)-2-morpholin-4-yl-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-(2-methoxyethyl)-2-morpholin-4-yl-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-(2-methoxyethyl)-2-morpholino-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[8-(2-methoxyethyl)-2-(4-morpholinyl)-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[8-(2-methoxyethyl)-2-morpholin-4-yl-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-[7-keto-8-(2-methoxyethyl)-2-morpholino-pteridin-6-yl]benzonitrile Formula: C20H20N6O3 MolecularWeight: 392.4112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=NC(=NC=C2N=C(C1=O)C3=CC=CC(=C3)C#N)N4CCOCC4

Isomeric SMILES

COCCN1C2=NC(=NC=C2N=C(C1=O)C3=CC=CC(=C3)C#N)N4CCOCC4

InChI

InChI=1S/C20H20N6O3/c1-28-8-7-26-18-16(13-22-20(24-18)25-5-9-29-10-6-25)23-17(19(26)27)15-4-2-3-14(11-15)12-21/h2-4,11,13H,5-10H2,1H3