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

Systemtic Name: 5-[[2-[3-[bis(azanyl)methylideneamino]phenoxy]-6-oxidanylidene-7,8-dihydro-5H-pteridin-4-yl]oxy]-2-cyano-benzamide Openeye Name: 2-cyano-5-[[2-(3-guanidinophenoxy)-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzamide CAS Name: 2-cyano-5-[[2-[3-(diaminomethylideneamino)phenoxy]-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzamide IUPAC Name: 2-cyano-5-[[2-[3-(diaminomethylideneamino)phenoxy]-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzamide Traditional Name: 2-cyano-5-[[2-(3-guanidinophenoxy)-6-keto-7,8-dihydro-5H-pteridin-4-yl]oxy]benzamide Formula: C21H17N9O4 MolecularWeight: 459.41758

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(N1)N=C(N=C2OC3=CC(=C(C=C3)C#N)C(=O)N)OC4=CC=CC(=C4)N=C(N)N

Isomeric SMILES

C1C(=O)NC2=C(N1)N=C(N=C2OC3=CC(=C(C=C3)C#N)C(=O)N)OC4=CC=CC(=C4)N=C(N)N

InChI

InChI=1S/C21H17N9O4/c22-8-10-4-5-13(7-14(10)17(23)32)33-19-16-18(26-9-15(31)28-16)29-21(30-19)34-12-3-1-2-11(6-12)27-20(24)25/h1-7H,9H2,(H2,23,32)(H,28,31)(H4,24,25,27)(H,26,29,30)