N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-ethyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-ethyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-ethyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-ethyl-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-ethyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: ethyl-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]-phenyl-amine Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H25N5O4/c1-4-26(17-8-6-5-7-9-17)22-20(27(28)29)21(24-15-25-22)23-13-12-16-10-11-18(30-2)19(14-16)31-3/h5-11,14-15H,4,12-13H2,1-3H3,(H,23,24,25)