N-(4-butylphenyl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-butylphenyl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butylphenyl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (4-butylphenyl)-[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC

InChI

InChI=1S/C20H28N6O2/c1-3-5-6-16-7-9-17(10-8-16)23-19-18(26(27)28)20(22-15-21-19)25-13-11-24(4-2)12-14-25/h7-10,15H,3-6,11-14H2,1-2H3,(H,21,22,23)