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

Systemtic Name: 3-[6-(4-methoxyphenyl)-2-[(3-methoxyphenyl)amino]-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(3-methoxyanilino)-6-(4-methoxyphenyl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(3-methoxyanilino)-6-(4-methoxyphenyl)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(3-methoxyanilino)-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-2-(m-anisidino)-6-(4-methoxyphenyl)pteridin-8-yl]propionitrile Formula: C23H20N6O3 MolecularWeight: 428.4433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)CCC#N)NC4=CC(=CC=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)CCC#N)NC4=CC(=CC=C4)OC

InChI

InChI=1S/C23H20N6O3/c1-31-17-9-7-15(8-10-17)20-22(30)29(12-4-11-24)21-19(27-20)14-25-23(28-21)26-16-5-3-6-18(13-16)32-2/h3,5-10,13-14H,4,12H2,1-2H3,(H,25,26,28)