N-(4-chlorophenyl)-4-(3,5-dimethylpiperazin-1-yl)-5-nitro-pyrimidin-2-amine

Systemtic Name: N-(4-chlorophenyl)-4-(3,5-dimethylpiperazin-1-yl)-5-nitro-pyrimidin-2-amine Openeye Name: N-(4-chlorophenyl)-4-(3,5-dimethylpiperazin-1-yl)-5-nitro-pyrimidin-2-amine CAS Name: N-(4-chlorophenyl)-4-(3,5-dimethyl-1-piperazinyl)-5-nitro-2-pyrimidinamine IUPAC Name: N-(4-chlorophenyl)-4-(3,5-dimethylpiperazin-1-yl)-5-nitropyrimidin-2-amine Traditional Name: (4-chlorophenyl)-[4-(3,5-dimethylpiperazino)-5-nitro-pyrimidin-2-yl]amine Formula: C16H19ClN6O2 MolecularWeight: 362.81406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1CN(CC(N1)C)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN6O2/c1-10-8-22(9-11(2)19-10)15-14(23(24)25)7-18-16(21-15)20-13-5-3-12(17)4-6-13/h3-7,10-11,19H,8-9H2,1-2H3,(H,18,20,21)