5-nitro-6-(4-phenylpiperazin-1-yl)-N-propan-2-yl-pyrimidin-4-amine

Systemtic Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-propan-2-yl-pyrimidin-4-amine Openeye Name: N-isopropyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: 5-nitro-6-(4-phenyl-1-piperazinyl)-N-propan-2-yl-4-pyrimidinamine IUPAC Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine Traditional Name: isopropyl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2/c1-13(2)20-16-15(23(24)25)17(19-12-18-16)22-10-8-21(9-11-22)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,18,19,20)