3-[[2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxy-6-oxidanylidene-7-(phenylmethyl)-7,8-dihydro-5H-pteridin-4-yl]oxy]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxy-6-oxidanylidene-7-(phenylmethyl)-7,8-dihydro-5H-pteridin-4-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[7-benzyl-2-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]oxy-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[2-[[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]oxy]-6-oxo-7-(phenylmethyl)-7,8-dihydro-5H-pteridin-4-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[7-benzyl-2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]oxy-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[7-benzyl-2-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]oxy-6-keto-7,8-dihydro-5H-pteridin-4-yl]oxy]-N,N-dimethyl-benzamide Formula: C29H27N7O5 MolecularWeight: 553.56858

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=NC3=C2NC(=O)C(N3)CC4=CC=CC=C4)OC5=CC(=C(N)N)C=CC5=O

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=NC3=C2NC(=O)C(N3)CC4=CC=CC=C4)OC5=CC(=C(N)N)C=CC5=O

InChI

InChI=1S/C29H27N7O5/c1-36(2)28(39)18-9-6-10-19(14-18)40-27-23-25(32-20(26(38)33-23)13-16-7-4-3-5-8-16)34-29(35-27)41-22-15-17(24(30)31)11-12-21(22)37/h3-12,14-15,20H,13,30-31H2,1-2H3,(H,33,38)(H,32,34,35)