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

Systemtic Name: 3-[8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[(3-methoxyphenyl)methyl]-2-morpholino-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[8-[(3-methoxyphenyl)methyl]-2-(4-morpholinyl)-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-(7-keto-8-m-anisyl-2-morpholino-pteridin-6-yl)benzonitrile Formula: C25H22N6O3 MolecularWeight: 454.48058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C3=NC(=NC=C3N=C(C2=O)C4=CC=CC(=C4)C#N)N5CCOCC5

Isomeric SMILES

COC1=CC=CC(=C1)CN2C3=NC(=NC=C3N=C(C2=O)C4=CC=CC(=C4)C#N)N5CCOCC5

InChI

InChI=1S/C25H22N6O3/c1-33-20-7-3-5-18(13-20)16-31-23-21(15-27-25(29-23)30-8-10-34-11-9-30)28-22(24(31)32)19-6-2-4-17(12-19)14-26/h2-7,12-13,15H,8-11,16H2,1H3