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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H25N5O4/c1-30-18-9-8-17(14-19(18)31-2)11-13-24-22-20(27(28)29)21(25-15-26-22)23-12-10-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,23,24,25,26)