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

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-morpholinopropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N-[3-(4-morpholinyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(3-morpholinopropyl)amine Formula: C21H28ClN7O3 MolecularWeight: 461.94512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NCCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NCCCN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H28ClN7O3/c22-17-3-1-4-18(15-17)27-7-9-28(10-8-27)21-19(29(30)31)20(24-16-25-21)23-5-2-6-26-11-13-32-14-12-26/h1,3-4,15-16H,2,5-14H2,(H,23,24,25)