N-[(2-chloranyl-6-methyl-phenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-[(2-chloranyl-6-methyl-phenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-[(2-chloro-6-methyl-phenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: N-[(2-chloro-6-methylphenyl)methyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-[(2-chloro-6-methylphenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-chloro-6-methyl-benzyl)amine Formula: C23H25ClN6O2 MolecularWeight: 452.9366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25ClN6O2/c1-17-6-5-9-20(24)19(17)14-25-22-21(30(31)32)23(27-16-26-22)29-12-10-28(11-13-29)15-18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,25,26,27)