1-tert-butyl-2-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]diazane

Systemtic Name: 1-tert-butyl-2-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]diazane Openeye Name: 1-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-2-tert-butyl-hydrazine CAS Name: 1-tert-butyl-2-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]hydrazine IUPAC Name: 1-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-2-tert-butylhydrazine Traditional Name: 1-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-2-tert-butyl-hydrazine Formula: C19H27N7O2 MolecularWeight: 385.46338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H27N7O2/c1-19(2,3)23-22-17-16(26(27)28)18(21-14-20-17)25-11-9-24(10-12-25)13-15-7-5-4-6-8-15/h4-8,14,23H,9-13H2,1-3H3,(H,20,21,22)