6-(4-ethylpiperazin-1-yl)-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine

Systemtic Name: 6-(4-ethylpiperazin-1-yl)-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Openeye Name: 6-(4-ethylpiperazin-1-yl)-5-nitro-N-[2-(2-thienyl)ethyl]pyrimidin-4-amine CAS Name: 6-(4-ethyl-1-piperazinyl)-5-nitro-N-(2-thiophen-2-ylethyl)-4-pyrimidinamine IUPAC Name: 6-(4-ethylpiperazin-1-yl)-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Traditional Name: [6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C16H22N6O2S MolecularWeight: 362.44988

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H22N6O2S/c1-2-20-7-9-21(10-8-20)16-14(22(23)24)15(18-12-19-16)17-6-5-13-4-3-11-25-13/h3-4,11-12H,2,5-10H2,1H3,(H,17,18,19)