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

Systemtic Name: N-[(2-chloranyl-6-methyl-phenyl)methyl]-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-[(2-chloro-6-methyl-phenyl)methyl]-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-[(2-chloro-6-methylphenyl)methyl]-6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-[(2-chloro-6-methylphenyl)methyl]-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (2-chloro-6-methyl-benzyl)-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H22ClFN6O2 MolecularWeight: 456.900483

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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)C4=CC=CC=C4F

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H22ClFN6O2/c1-15-5-4-6-17(23)16(15)13-25-21-20(30(31)32)22(27-14-26-21)29-11-9-28(10-12-29)19-8-3-2-7-18(19)24/h2-8,14H,9-13H2,1H3,(H,25,26,27)