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

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methyl-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2-methylphenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(5-chloro-2-methyl-phenyl)amine Formula: C22H23ClN6O2 MolecularWeight: 438.91002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23ClN6O2/c1-16-7-8-18(23)13-19(16)26-21-20(29(30)31)22(25-15-24-21)28-11-9-27(10-12-28)14-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,24,25,26)