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

Systemtic Name: 3-[2-(ethylamino)-7-oxidanylidene-6-thiophen-2-yl-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(ethylamino)-7-oxo-6-(2-thienyl)pteridin-8-yl]propanenitrile CAS Name: 3-[2-(ethylamino)-7-oxo-6-thiophen-2-yl-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(ethylamino)-7-oxo-6-thiophen-2-ylpteridin-8-yl]propanenitrile Traditional Name: 3-[2-(ethylamino)-7-keto-6-(2-thienyl)pteridin-8-yl]propionitrile Formula: C15H14N6OS MolecularWeight: 326.37626

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=CS3)CCC#N

Isomeric SMILES

CCNC1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=CS3)CCC#N

InChI

InChI=1S/C15H14N6OS/c1-2-17-15-18-9-10-13(20-15)21(7-4-6-16)14(22)12(19-10)11-5-3-8-23-11/h3,5,8-9H,2,4,7H2,1H3,(H,17,18,20)