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

Systemtic Name: N-(4-butoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butoxyphenyl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC

InChI

InChI=1S/C20H28N6O3/c1-3-5-14-29-17-8-6-16(7-9-17)23-19-18(26(27)28)20(22-15-21-19)25-12-10-24(4-2)11-13-25/h6-9,15H,3-5,10-14H2,1-2H3,(H,21,22,23)