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

Systemtic Name: N-[1-(4-fluorophenyl)-2-methyl-propan-2-yl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-[2-(4-fluorophenyl)-1,1-dimethyl-ethyl]-5-nitro-pyrimidin-4-amine CAS Name: N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-[2-(4-fluorophenyl)-1,1-dimethyl-ethyl]amine Formula: C25H29FN6O2 MolecularWeight: 464.535163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29FN6O2/c1-25(2,16-19-8-10-21(26)11-9-19)29-23-22(32(33)34)24(28-18-27-23)31-14-12-30(13-15-31)17-20-6-4-3-5-7-20/h3-11,18H,12-17H2,1-2H3,(H,27,28,29)