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

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(2-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(2-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: homoveratryl-[5-nitro-6-(o-anisidino)pyrimidin-4-yl]amine Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3OC)OC

InChI

InChI=1S/C21H23N5O5/c1-29-16-7-5-4-6-15(16)25-21-19(26(27)28)20(23-13-24-21)22-11-10-14-8-9-17(30-2)18(12-14)31-3/h4-9,12-13H,10-11H2,1-3H3,(H2,22,23,24,25)