3-[[4-(2-azanyl-5-cyano-phenoxy)-7-(2-methylsulfonylethyl)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[4-(2-azanyl-5-cyano-phenoxy)-7-(2-methylsulfonylethyl)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[4-(2-amino-5-cyano-phenoxy)-7-(2-methylsulfonylethyl)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[4-(2-amino-5-cyanophenoxy)-7-(2-methylsulfonylethyl)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[4-(2-amino-5-cyanophenoxy)-7-(2-methylsulfonylethyl)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[4-(2-amino-5-cyano-phenoxy)-6-keto-7-(2-mesylethyl)-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C25H25N7O6S MolecularWeight: 551.5743

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C#N)N)NC(=O)C(N3)CCS(=O)(=O)C

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C#N)N)NC(=O)C(N3)CCS(=O)(=O)C

InChI

InChI=1S/C25H25N7O6S/c1-32(2)24(34)15-5-4-6-16(12-15)37-25-30-21-20(29-22(33)18(28-21)9-10-39(3,35)36)23(31-25)38-19-11-14(13-26)7-8-17(19)27/h4-8,11-12,18H,9-10,27H2,1-3H3,(H,29,33)(H,28,30,31)