3-[2-(3-chloranylphenoxy)-7-oxidanylidene-6-thiophen-2-yl-pteridin-8-yl]propanenitrile

Systemtic Name: 3-[2-(3-chloranylphenoxy)-7-oxidanylidene-6-thiophen-2-yl-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(3-chlorophenoxy)-7-oxo-6-(2-thienyl)pteridin-8-yl]propanenitrile CAS Name: 3-[2-(3-chlorophenoxy)-7-oxo-6-thiophen-2-yl-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(3-chlorophenoxy)-7-oxo-6-thiophen-2-ylpteridin-8-yl]propanenitrile Traditional Name: 3-[2-(3-chlorophenoxy)-7-keto-6-(2-thienyl)pteridin-8-yl]propionitrile Formula: C19H12ClN5O2S MolecularWeight: 409.84888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)OC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CCC#N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)OC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CCC#N

InChI

InChI=1S/C19H12ClN5O2S/c20-12-4-1-5-13(10-12)27-19-22-11-14-17(24-19)25(8-3-7-21)18(26)16(23-14)15-6-2-9-28-15/h1-2,4-6,9-11H,3,8H2