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

Systemtic Name: 3-[2-methoxy-8-[(3-methoxyphenyl)methyl]-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[2-methoxy-8-[(3-methoxyphenyl)methyl]-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[2-methoxy-8-[(3-methoxyphenyl)methyl]-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[2-methoxy-8-[(3-methoxyphenyl)methyl]-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-(7-keto-8-m-anisyl-2-methoxy-pteridin-6-yl)benzonitrile Formula: C22H17N5O3 MolecularWeight: 399.40208

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O3/c1-29-17-8-4-6-15(10-17)13-27-20-18(12-24-22(26-20)30-2)25-19(21(27)28)16-7-3-5-14(9-16)11-23/h3-10,12H,13H2,1-2H3