2-[3-[4-azanyl-6-[5-cyano-2-(dimethylamino)phenoxy]-5-nitro-pyrimidin-2-yl]oxyphenyl]guanidine

Systemtic Name: 2-[3-[4-azanyl-6-[5-cyano-2-(dimethylamino)phenoxy]-5-nitro-pyrimidin-2-yl]oxyphenyl]guanidine Openeye Name: 2-[3-[4-amino-6-[5-cyano-2-(dimethylamino)phenoxy]-5-nitro-pyrimidin-2-yl]oxyphenyl]guanidine CAS Name: 2-[3-[[4-amino-6-[5-cyano-2-(dimethylamino)phenoxy]-5-nitro-2-pyrimidinyl]oxy]phenyl]guanidine IUPAC Name: 2-[3-[4-amino-6-[5-cyano-2-(dimethylamino)phenoxy]-5-nitropyrimidin-2-yl]oxyphenyl]guanidine Traditional Name: 2-[3-[4-amino-6-[5-cyano-2-(dimethylamino)phenoxy]-5-nitro-pyrimidin-2-yl]oxyphenyl]guanidine Formula: C20H19N9O4 MolecularWeight: 449.42276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N9O4/c1-28(2)14-7-6-11(10-21)8-15(14)33-18-16(29(30)31)17(22)26-20(27-18)32-13-5-3-4-12(9-13)25-19(23)24/h3-9H,1-2H3,(H2,22,26,27)(H4,23,24,25)