N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-chlorophenyl)-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (3-chlorophenyl)-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C15H17ClN6O2 MolecularWeight: 348.78748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H17ClN6O2/c1-20-5-7-21(8-6-20)15-13(22(23)24)14(17-10-18-15)19-12-4-2-3-11(16)9-12/h2-4,9-10H,5-8H2,1H3,(H,17,18,19)