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

Systemtic Name: 1-tert-butyl-2-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]diazane Openeye Name: 1-[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-2-tert-butyl-hydrazine CAS Name: 1-tert-butyl-2-[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]hydrazine IUPAC Name: 1-[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-2-tert-butylhydrazine Traditional Name: 1-[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-2-tert-butyl-hydrazine Formula: C25H31N7O2 MolecularWeight: 461.55934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N7O2/c1-25(2,3)29-28-23-22(32(33)34)24(27-18-26-23)31-16-14-30(15-17-31)21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,18,21,29H,14-17H2,1-3H3,(H,26,27,28)