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

Systemtic Name: 3-(7-oxidanylidene-2-phenylmethoxy-6-thiophen-2-yl-pteridin-8-yl)propanenitrile Openeye Name: 3-[2-benzyloxy-7-oxo-6-(2-thienyl)pteridin-8-yl]propanenitrile CAS Name: 3-(7-oxo-2-phenylmethoxy-6-thiophen-2-yl-8-pteridinyl)propanenitrile IUPAC Name: 3-(7-oxo-2-phenylmethoxy-6-thiophen-2-ylpteridin-8-yl)propanenitrile Traditional Name: 3-[2-benzoxy-7-keto-6-(2-thienyl)pteridin-8-yl]propionitrile Formula: C20H15N5O2S MolecularWeight: 389.4304

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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=CS4)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CCC#N

InChI

InChI=1S/C20H15N5O2S/c21-9-5-10-25-18-15(23-17(19(25)26)16-8-4-11-28-16)12-22-20(24-18)27-13-14-6-2-1-3-7-14/h1-4,6-8,11-12H,5,10,13H2