6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-morpholinopropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N-[3-(4-morpholinyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(3-morpholinopropyl)amine Formula: C23H33N7O3 MolecularWeight: 455.55322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCCCN4CCOCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCCCN4CCOCC4)[N+](=O)[O-])C

InChI

InChI=1S/C23H33N7O3/c1-18-5-3-6-20(19(18)2)28-9-11-29(12-10-28)23-21(30(31)32)22(25-17-26-23)24-7-4-8-27-13-15-33-16-14-27/h3,5-6,17H,4,7-16H2,1-2H3,(H,24,25,26)