4-chloranyl-3-[[2-[3-(2-chloroethyl)-5-methyl-phenoxy]-6-oxidanylidene-7,8-dihydro-5H-pteridin-4-yl]oxy]benzenecarbonitrile

Systemtic Name: 4-chloranyl-3-[[2-[3-(2-chloroethyl)-5-methyl-phenoxy]-6-oxidanylidene-7,8-dihydro-5H-pteridin-4-yl]oxy]benzenecarbonitrile Openeye Name: 4-chloro-3-[[2-[3-(2-chloroethyl)-5-methyl-phenoxy]-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzonitrile CAS Name: 4-chloro-3-[[2-[3-(2-chloroethyl)-5-methylphenoxy]-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzonitrile IUPAC Name: 4-chloro-3-[[2-[3-(2-chloroethyl)-5-methylphenoxy]-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzonitrile Traditional Name: 4-chloro-3-[[2-[3-(2-chloroethyl)-5-methyl-phenoxy]-6-keto-7,8-dihydro-5H-pteridin-4-yl]oxy]benzonitrile Formula: C22H17Cl2N5O3 MolecularWeight: 470.30808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C#N)Cl)NC(=O)CN3)CCCl

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C#N)Cl)NC(=O)CN3)CCCl

InChI

InChI=1S/C22H17Cl2N5O3/c1-12-6-13(4-5-23)8-15(7-12)31-22-28-20-19(27-18(30)11-26-20)21(29-22)32-17-9-14(10-25)2-3-16(17)24/h2-3,6-9H,4-5,11H2,1H3,(H,27,30)(H,26,28,29)