6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-morpholinoethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N-[2-(4-morpholinyl)ethyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(2-morpholinoethyl)amine Formula: C20H26ClN7O3 MolecularWeight: 447.91854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NCCN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H26ClN7O3/c21-16-2-1-3-17(14-16)26-6-8-27(9-7-26)20-18(28(29)30)19(23-15-24-20)22-4-5-25-10-12-31-13-11-25/h1-3,14-15H,4-13H2,(H,22,23,24)