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

Systemtic Name: 2-[6-azanyl-2-[3-[bis(azanyl)methylideneamino]phenoxy]-5-nitro-pyrimidin-4-yl]oxy-4-cyano-benzamide Openeye Name: 2-[6-amino-2-(3-guanidinophenoxy)-5-nitro-pyrimidin-4-yl]oxy-4-cyano-benzamide CAS Name: 2-[[6-amino-2-[3-(diaminomethylideneamino)phenoxy]-5-nitro-4-pyrimidinyl]oxy]-4-cyanobenzamide IUPAC Name: 2-[6-amino-2-[3-(diaminomethylideneamino)phenoxy]-5-nitropyrimidin-4-yl]oxy-4-cyanobenzamide Traditional Name: 2-[6-amino-2-(3-guanidinophenoxy)-5-nitro-pyrimidin-4-yl]oxy-4-cyano-benzamide Formula: C19H15N9O5 MolecularWeight: 449.3797

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=NC(=C(C(=N2)OC3=C(C=CC(=C3)C#N)C(=O)N)[N+](=O)[O-])N)N=C(N)N

Isomeric SMILES

C1=CC(=CC(=C1)OC2=NC(=C(C(=N2)OC3=C(C=CC(=C3)C#N)C(=O)N)[N+](=O)[O-])N)N=C(N)N

InChI

InChI=1S/C19H15N9O5/c20-8-9-4-5-12(16(22)29)13(6-9)33-17-14(28(30)31)15(21)26-19(27-17)32-11-3-1-2-10(7-11)25-18(23)24/h1-7H,(H2,22,29)(H2,21,26,27)(H4,23,24,25)