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

Systemtic Name: 3-[2-(ethylamino)-7-oxidanylidene-6-phenethyl-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(ethylamino)-7-oxo-6-phenethyl-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(ethylamino)-7-oxo-6-phenethyl-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(ethylamino)-7-oxo-6-phenethylpteridin-8-yl]propanenitrile Traditional Name: 3-[2-(ethylamino)-7-keto-6-phenethyl-pteridin-8-yl]propionitrile Formula: C19H20N6O MolecularWeight: 348.4017

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=C2C(=N1)N(C(=O)C(=N2)CCC3=CC=CC=C3)CCC#N

Isomeric SMILES

CCNC1=NC=C2C(=N1)N(C(=O)C(=N2)CCC3=CC=CC=C3)CCC#N

InChI

InChI=1S/C19H20N6O/c1-2-21-19-22-13-16-17(24-19)25(12-6-11-20)18(26)15(23-16)10-9-14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-10,12H2,1H3,(H,21,22,24)