N4-(1-adamantyl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(3-morpholinopropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H32N6O3 MolecularWeight: 416.51718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H32N6O3/c28-27(29)18-19(22-2-1-3-26-4-6-30-7-5-26)23-14-24-20(18)25-21-11-15-8-16(12-21)10-17(9-15)13-21/h14-17H,1-13H2,(H2,22,23,24,25)