N-tert-butyl-N-methyl-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-tert-butyl-N-methyl-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-tert-butyl-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: N-tert-butyl-N-methyl-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-tert-butyl-N-methyl-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-tert-butyl-methyl-amine Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N6O2/c1-20(2,3)23(4)18-17(26(27)28)19(22-15-21-18)25-12-10-24(11-13-25)14-16-8-6-5-7-9-16/h5-9,15H,10-14H2,1-4H3