N-ethyl-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-ethyl-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-ethyl-5-nitro-pyrimidin-4-amine CAS Name: N-ethyl-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-ethyl-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-ethyl-amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

InChI

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