6-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-bis(2-methylpropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-bis(2-methylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diisobutyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N,N-bis(2-methylpropyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-diisobutyl-amine Formula: C22H31ClN6O2 MolecularWeight: 446.97354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)CN(CC(C)C)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H31ClN6O2/c1-16(2)13-28(14-17(3)4)22-20(29(30)31)21(24-15-25-22)27-10-8-26(9-11-27)19-7-5-6-18(23)12-19/h5-7,12,15-17H,8-11,13-14H2,1-4H3