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

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(4-isopropylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-N-(4-propan-2-ylphenyl)-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-p-cumenyl-amine Formula: C24H28N6O2 MolecularWeight: 432.51812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6O2/c1-18(2)20-8-10-21(11-9-20)27-23-22(30(31)32)24(26-17-25-23)29-14-12-28(13-15-29)16-19-6-4-3-5-7-19/h3-11,17-18H,12-16H2,1-2H3,(H,25,26,27)