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

Systemtic Name: 3-[8-[(3-methoxyphenyl)methyl]-7-oxidanylidene-2-phenylazanyl-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[2-anilino-8-[(3-methoxyphenyl)methyl]-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[2-anilino-8-[(3-methoxyphenyl)methyl]-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[2-anilino-8-[(3-methoxyphenyl)methyl]-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-(2-anilino-7-keto-8-m-anisyl-pteridin-6-yl)benzonitrile Formula: C27H20N6O2 MolecularWeight: 460.4867

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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)NC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)CN2C3=NC(=NC=C3N=C(C2=O)C4=CC=CC(=C4)C#N)NC5=CC=CC=C5

InChI

InChI=1S/C27H20N6O2/c1-35-22-12-6-8-19(14-22)17-33-25-23(16-29-27(32-25)30-21-10-3-2-4-11-21)31-24(26(33)34)20-9-5-7-18(13-20)15-28/h2-14,16H,17H2,1H3,(H,29,30,32)