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

Systemtic Name: 3-[6-(4-chlorophenyl)-2-[(3-methoxyphenyl)amino]-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[6-(4-chlorophenyl)-2-(3-methoxyanilino)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[6-(4-chlorophenyl)-2-(3-methoxyanilino)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[6-(4-chlorophenyl)-2-(3-methoxyanilino)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[6-(4-chlorophenyl)-7-keto-2-(m-anisidino)pteridin-8-yl]propionitrile Formula: C22H17ClN6O2 MolecularWeight: 432.86238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=C(C=C4)Cl)CCC#N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=C(C=C4)Cl)CCC#N

InChI

InChI=1S/C22H17ClN6O2/c1-31-17-5-2-4-16(12-17)26-22-25-13-18-20(28-22)29(11-3-10-24)21(30)19(27-18)14-6-8-15(23)9-7-14/h2,4-9,12-13H,3,11H2,1H3,(H,25,26,28)