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

Systemtic Name: 3-[8-(2-methoxyethyl)-7-oxidanylidene-2-phenylazanyl-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[2-anilino-8-(2-methoxyethyl)-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[2-anilino-8-(2-methoxyethyl)-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[2-anilino-8-(2-methoxyethyl)-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-[2-anilino-7-keto-8-(2-methoxyethyl)pteridin-6-yl]benzonitrile Formula: C22H18N6O2 MolecularWeight: 398.41732

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=NC(=NC=C2N=C(C1=O)C3=CC=CC(=C3)C#N)NC4=CC=CC=C4

Isomeric SMILES

COCCN1C2=NC(=NC=C2N=C(C1=O)C3=CC=CC(=C3)C#N)NC4=CC=CC=C4

InChI

InChI=1S/C22H18N6O2/c1-30-11-10-28-20-18(14-24-22(27-20)25-17-8-3-2-4-9-17)26-19(21(28)29)16-7-5-6-15(12-16)13-23/h2-9,12,14H,10-11H2,1H3,(H,24,25,27)