3-(8-cyclopropyl-2-morpholin-4-yl-7-oxidanylidene-pteridin-6-yl)benzenecarbonitrile

Systemtic Name: 3-(8-cyclopropyl-2-morpholin-4-yl-7-oxidanylidene-pteridin-6-yl)benzenecarbonitrile Openeye Name: 3-(8-cyclopropyl-2-morpholino-7-oxo-pteridin-6-yl)benzonitrile CAS Name: 3-[8-cyclopropyl-2-(4-morpholinyl)-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-(8-cyclopropyl-2-morpholin-4-yl-7-oxopteridin-6-yl)benzonitrile Traditional Name: 3-(8-cyclopropyl-7-keto-2-morpholino-pteridin-6-yl)benzonitrile Formula: C20H18N6O2 MolecularWeight: 374.39592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=NC(=NC=C3N=C(C2=O)C4=CC=CC(=C4)C#N)N5CCOCC5

Isomeric SMILES

C1CC1N2C3=NC(=NC=C3N=C(C2=O)C4=CC=CC(=C4)C#N)N5CCOCC5

InChI

InChI=1S/C20H18N6O2/c21-11-13-2-1-3-14(10-13)17-19(27)26(15-4-5-15)18-16(23-17)12-22-20(24-18)25-6-8-28-9-7-25/h1-3,10,12,15H,4-9H2