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

Systemtic Name: 3-[2-[(3-methoxyphenyl)amino]-7-oxidanylidene-6-phenethyl-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(3-methoxyanilino)-7-oxo-6-phenethyl-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(3-methoxyanilino)-7-oxo-6-phenethyl-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(3-methoxyanilino)-7-oxo-6-phenethylpteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-2-(m-anisidino)-6-phenethyl-pteridin-8-yl]propionitrile Formula: C24H22N6O2 MolecularWeight: 426.47048

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)CCC4=CC=CC=C4)CCC#N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=O)C(=N3)CCC4=CC=CC=C4)CCC#N

InChI

InChI=1S/C24H22N6O2/c1-32-19-10-5-9-18(15-19)27-24-26-16-21-22(29-24)30(14-6-13-25)23(31)20(28-21)12-11-17-7-3-2-4-8-17/h2-5,7-10,15-16H,6,11-12,14H2,1H3,(H,26,27,29)