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

Systemtic Name: 3-(7-oxidanylidene-2-phenylazanyl-6-thiophen-2-yl-pteridin-8-yl)propanenitrile Openeye Name: 3-[2-anilino-7-oxo-6-(2-thienyl)pteridin-8-yl]propanenitrile CAS Name: 3-(2-anilino-7-oxo-6-thiophen-2-yl-8-pteridinyl)propanenitrile IUPAC Name: 3-(2-anilino-7-oxo-6-thiophen-2-ylpteridin-8-yl)propanenitrile Traditional Name: 3-[2-anilino-7-keto-6-(2-thienyl)pteridin-8-yl]propionitrile Formula: C19H14N6OS MolecularWeight: 374.41906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CCC#N

InChI

InChI=1S/C19H14N6OS/c20-9-5-10-25-17-14(23-16(18(25)26)15-8-4-11-27-15)12-21-19(24-17)22-13-6-2-1-3-7-13/h1-4,6-8,11-12H,5,10H2,(H,21,22,24)