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

Systemtic Name: 3-[8-(2-cyanoethyl)-2-morpholin-4-yl-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-(2-cyanoethyl)-2-morpholino-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[8-(2-cyanoethyl)-2-(4-morpholinyl)-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[8-(2-cyanoethyl)-2-morpholin-4-yl-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-[8-(2-cyanoethyl)-7-keto-2-morpholino-pteridin-6-yl]benzonitrile Formula: C20H17N7O2 MolecularWeight: 387.39468

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CC(=C4)C#N)CCC#N

Isomeric SMILES

C1COCCN1C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CC(=C4)C#N)CCC#N

InChI

InChI=1S/C20H17N7O2/c21-5-2-6-27-18-16(13-23-20(25-18)26-7-9-29-10-8-26)24-17(19(27)28)15-4-1-3-14(11-15)12-22/h1,3-4,11,13H,2,6-10H2