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

Systemtic Name: N-(4-butoxyphenyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(4-butoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-(4-butoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(4-butoxyphenyl)amine Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N6O3/c1-2-3-17-34-22-11-9-21(10-12-22)28-24-23(31(32)33)25(27-19-26-24)30-15-13-29(14-16-30)18-20-7-5-4-6-8-20/h4-12,19H,2-3,13-18H2,1H3,(H,26,27,28)