3-[2-(ethylamino)-6-(4-methoxyphenyl)-7-oxidanylidene-pteridin-8-yl]propanenitrile

Systemtic Name: 3-[2-(ethylamino)-6-(4-methoxyphenyl)-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(ethylamino)-6-(4-methoxyphenyl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(ethylamino)-6-(4-methoxyphenyl)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(ethylamino)-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[2-(ethylamino)-7-keto-6-(4-methoxyphenyl)pteridin-8-yl]propionitrile Formula: C18H18N6O2 MolecularWeight: 350.37452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O2/c1-3-20-18-21-11-14-16(23-18)24(10-4-9-19)17(25)15(22-14)12-5-7-13(26-2)8-6-12/h5-8,11H,3-4,10H2,1-2H3,(H,20,21,23)