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

Systemtic Name: tert-butyl 2-[[2-[3-[bis(azanyl)methylideneamino]phenoxy]-7-(hydroxymethyl)-6-oxidanylidene-7,8-dihydro-5H-pteridin-4-yl]oxy]-4-cyano-benzoate Openeye Name: tert-butyl 4-cyano-2-[[2-(3-guanidinophenoxy)-7-(hydroxymethyl)-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoate CAS Name: 4-cyano-2-[[2-[3-(diaminomethylideneamino)phenoxy]-7-(hydroxymethyl)-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-cyano-2-[[2-[3-(diaminomethylideneamino)phenoxy]-7-(hydroxymethyl)-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoate Traditional Name: 4-cyano-2-[[2-(3-guanidinophenoxy)-6-keto-7-methylol-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoic acid tert-butyl ester Formula: C26H26N8O6 MolecularWeight: 546.53464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=C(C=C1)C#N)OC2=NC(=NC3=C2NC(=O)C(N3)CO)OC4=CC=CC(=C4)N=C(N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=C(C=C1)C#N)OC2=NC(=NC3=C2NC(=O)C(N3)CO)OC4=CC=CC(=C4)N=C(N)N

InChI

InChI=1S/C26H26N8O6/c1-26(2,3)40-23(37)16-8-7-13(11-27)9-18(16)39-22-19-20(31-17(12-35)21(36)32-19)33-25(34-22)38-15-6-4-5-14(10-15)30-24(28)29/h4-10,17,35H,12H2,1-3H3,(H,32,36)(H4,28,29,30)(H,31,33,34)