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

Systemtic Name: N-(4-butylphenyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(4-butylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-(4-butylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N6O2/c1-2-3-7-20-10-12-22(13-11-20)28-24-23(31(32)33)25(27-19-26-24)30-16-14-29(15-17-30)18-21-8-5-4-6-9-21/h4-6,8-13,19H,2-3,7,14-18H2,1H3,(H,26,27,28)