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

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-5-nitro-N-phenyl-pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-5-nitro-N-phenyl-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N-methyl-5-nitro-N-phenyl-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-5-nitro-N-phenylpyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-methyl-phenyl-amine Formula: C21H21ClN6O2 MolecularWeight: 424.88344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H21ClN6O2/c1-25(17-7-3-2-4-8-17)20-19(28(29)30)21(24-15-23-20)27-12-10-26(11-13-27)18-9-5-6-16(22)14-18/h2-9,14-15H,10-13H2,1H3