3-[6-(4-chlorophenyl)-7-oxidanylidene-2-phenylmethoxy-pteridin-8-yl]propanenitrile

Systemtic Name: 3-[6-(4-chlorophenyl)-7-oxidanylidene-2-phenylmethoxy-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-benzyloxy-6-(4-chlorophenyl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[6-(4-chlorophenyl)-7-oxo-2-phenylmethoxy-8-pteridinyl]propanenitrile IUPAC Name: 3-[6-(4-chlorophenyl)-7-oxo-2-phenylmethoxypteridin-8-yl]propanenitrile Traditional Name: 3-[2-benzoxy-6-(4-chlorophenyl)-7-keto-pteridin-8-yl]propionitrile Formula: C22H16ClN5O2 MolecularWeight: 417.84774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN5O2/c23-17-9-7-16(8-10-17)19-21(29)28(12-4-11-24)20-18(26-19)13-25-22(27-20)30-14-15-5-2-1-3-6-15/h1-3,5-10,13H,4,12,14H2