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

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N-(2-methoxyethyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(2-methoxyethyl)amine Formula: C17H21ClN6O3 MolecularWeight: 392.84004

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H21ClN6O3/c1-27-10-5-19-16-15(24(25)26)17(21-12-20-16)23-8-6-22(7-9-23)14-4-2-3-13(18)11-14/h2-4,11-12H,5-10H2,1H3,(H,19,20,21)