N4,N4-diethyl-5-nitro-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4,N4-diethyl-5-nitro-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-diethyl-5-nitro-N6-(4-phenylazophenyl)pyrimidine-4,6-diamine CAS Name: N4,N4-diethyl-5-nitro-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-diethyl-5-nitro-6-N-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine Traditional Name: diethyl-[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]amine Formula: C20H21N7O2 MolecularWeight: 391.42644

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)N=NC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)N=NC3=CC=CC=C3

InChI

InChI=1S/C20H21N7O2/c1-3-26(4-2)20-18(27(28)29)19(21-14-22-20)23-15-10-12-17(13-11-15)25-24-16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3,(H,21,22,23)