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

Systemtic Name: N4-[2-(3,4-dimethoxyphenyl)ethyl]-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[2-(3,4-dimethoxyphenyl)ethyl]-N6-(3-morpholinopropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[2-(3,4-dimethoxyphenyl)ethyl]-N6-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: homoveratryl-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H30N6O5 MolecularWeight: 446.5001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H30N6O5/c1-30-17-5-4-16(14-18(17)31-2)6-8-23-21-19(27(28)29)20(24-15-25-21)22-7-3-9-26-10-12-32-13-11-26/h4-5,14-15H,3,6-13H2,1-2H3,(H2,22,23,24,25)