3-[2-[(3-methoxyphenyl)amino]-6-(1-methylindol-3-yl)-7-oxidanylidene-pteridin-8-yl]propanenitrile

Systemtic Name: 3-[2-[(3-methoxyphenyl)amino]-6-(1-methylindol-3-yl)-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(3-methoxyanilino)-6-(1-methylindol-3-yl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(3-methoxyanilino)-6-(1-methyl-3-indolyl)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(3-methoxyanilino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-2-(m-anisidino)-6-(1-methylindol-3-yl)pteridin-8-yl]propionitrile Formula: C25H21N7O2 MolecularWeight: 451.47994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=NC4=CN=C(N=C4N(C3=O)CCC#N)NC5=CC(=CC=C5)OC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=NC4=CN=C(N=C4N(C3=O)CCC#N)NC5=CC(=CC=C5)OC

InChI

InChI=1S/C25H21N7O2/c1-31-15-19(18-9-3-4-10-21(18)31)22-24(33)32(12-6-11-26)23-20(29-22)14-27-25(30-23)28-16-7-5-8-17(13-16)34-2/h3-5,7-10,13-15H,6,12H2,1-2H3,(H,27,28,30)