N-[[3,5-bis(chloranyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[[3,5-bis(chloranyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[(3,5-dichlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-[(3,5-dichlorophenyl)methyl]-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[(3,5-dichlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (3,5-dichlorobenzyl)-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H18Cl2N6O2 MolecularWeight: 397.25912

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC(=CC(=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC(=CC(=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18Cl2N6O2/c1-22-2-4-23(5-3-22)16-14(24(25)26)15(20-10-21-16)19-9-11-6-12(17)8-13(18)7-11/h6-8,10H,2-5,9H2,1H3,(H,19,20,21)