1-tert-butyl-2-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]diazane

Systemtic Name: 1-tert-butyl-2-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]diazane Openeye Name: 1-tert-butyl-2-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]hydrazine CAS Name: 1-tert-butyl-2-[6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]hydrazine IUPAC Name: 1-tert-butyl-2-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine Traditional Name: 1-tert-butyl-2-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]hydrazine Formula: C18H24ClN7O2 MolecularWeight: 405.88186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN7O2/c1-18(2,3)23-22-16-15(26(27)28)17(21-12-20-16)25-9-7-24(8-10-25)14-6-4-5-13(19)11-14/h4-6,11-12,23H,7-10H2,1-3H3,(H,20,21,22)