N-tert-butyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-tert-butyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-tert-butyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-tert-butyl-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-tert-butyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: tert-butyl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H24N6O2/c1-18(2,3)21-16-15(24(25)26)17(20-13-19-16)23-11-9-22(10-12-23)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,19,20,21)