3-(7-oxidanylidene-6-phenyl-2-phenylmethoxy-pteridin-8-yl)propanenitrile

Systemtic Name: 3-(7-oxidanylidene-6-phenyl-2-phenylmethoxy-pteridin-8-yl)propanenitrile Openeye Name: 3-(2-benzyloxy-7-oxo-6-phenyl-pteridin-8-yl)propanenitrile CAS Name: 3-(7-oxo-6-phenyl-2-phenylmethoxy-8-pteridinyl)propanenitrile IUPAC Name: 3-(7-oxo-6-phenyl-2-phenylmethoxypteridin-8-yl)propanenitrile Traditional Name: 3-(2-benzoxy-7-keto-6-phenyl-pteridin-8-yl)propionitrile Formula: C22H17N5O2 MolecularWeight: 383.40268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CC=C4)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CC=C4)CCC#N

InChI

InChI=1S/C22H17N5O2/c23-12-7-13-27-20-18(25-19(21(27)28)17-10-5-2-6-11-17)14-24-22(26-20)29-15-16-8-3-1-4-9-16/h1-6,8-11,14H,7,13,15H2