N-[(4-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[(4-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-[(4-chlorophenyl)methyl]-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (4-chlorobenzyl)-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H19ClN6O2 MolecularWeight: 362.81406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN6O2/c1-21-6-8-22(9-7-21)16-14(23(24)25)15(19-11-20-16)18-10-12-2-4-13(17)5-3-12/h2-5,11H,6-10H2,1H3,(H,18,19,20)