tert-butyl 5-[6-azanyl-2-[3-[bis(azanyl)methylideneamino]phenoxy]-5-nitro-pyrimidin-4-yl]oxy-2-cyano-benzoate

Systemtic Name: tert-butyl 5-[6-azanyl-2-[3-[bis(azanyl)methylideneamino]phenoxy]-5-nitro-pyrimidin-4-yl]oxy-2-cyano-benzoate Openeye Name: tert-butyl 5-[6-amino-2-(3-guanidinophenoxy)-5-nitro-pyrimidin-4-yl]oxy-2-cyano-benzoate CAS Name: 5-[[6-amino-2-[3-(diaminomethylideneamino)phenoxy]-5-nitro-4-pyrimidinyl]oxy]-2-cyanobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[6-amino-2-[3-(diaminomethylideneamino)phenoxy]-5-nitropyrimidin-4-yl]oxy-2-cyanobenzoate Traditional Name: 5-[6-amino-2-(3-guanidinophenoxy)-5-nitro-pyrimidin-4-yl]oxy-2-cyano-benzoic acid tert-butyl ester Formula: C23H22N8O6 MolecularWeight: 506.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])N)OC3=CC=CC(=C3)N=C(N)N)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])N)OC3=CC=CC(=C3)N=C(N)N)C#N

InChI

InChI=1S/C23H22N8O6/c1-23(2,3)37-20(32)16-10-15(8-7-12(16)11-24)35-19-17(31(33)34)18(25)29-22(30-19)36-14-6-4-5-13(9-14)28-21(26)27/h4-10H,1-3H3,(H2,25,29,30)(H4,26,27,28)