3-(2-methoxy-7-oxidanylidene-6-phenethyl-pteridin-8-yl)propanenitrile

Systemtic Name: 3-(2-methoxy-7-oxidanylidene-6-phenethyl-pteridin-8-yl)propanenitrile Openeye Name: 3-(2-methoxy-7-oxo-6-phenethyl-pteridin-8-yl)propanenitrile CAS Name: 3-(2-methoxy-7-oxo-6-phenethyl-8-pteridinyl)propanenitrile IUPAC Name: 3-(2-methoxy-7-oxo-6-phenethylpteridin-8-yl)propanenitrile Traditional Name: 3-(7-keto-2-methoxy-6-phenethyl-pteridin-8-yl)propionitrile Formula: C18H17N5O2 MolecularWeight: 335.35988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C2C(=N1)N(C(=O)C(=N2)CCC3=CC=CC=C3)CCC#N

Isomeric SMILES

COC1=NC=C2C(=N1)N(C(=O)C(=N2)CCC3=CC=CC=C3)CCC#N

InChI

InChI=1S/C18H17N5O2/c1-25-18-20-12-15-16(22-18)23(11-5-10-19)17(24)14(21-15)9-8-13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-9,11H2,1H3