2,6-bis[1-(phenylmethyl)piperazin-1-ium-1-yl]pyrimidin-4-amine

Systemtic Name: 2,6-bis[1-(phenylmethyl)piperazin-1-ium-1-yl]pyrimidin-4-amine Openeye Name: 2,6-bis(1-benzylpiperazin-1-ium-1-yl)pyrimidin-4-amine CAS Name: 2,6-bis[1-(phenylmethyl)-1-piperazin-1-iumyl]-4-pyrimidinamine IUPAC Name: 2,6-bis(1-benzylpiperazin-1-ium-1-yl)pyrimidin-4-amine Traditional Name: [2,6-bis(1-benzylpiperazin-1-ium-1-yl)pyrimidin-4-yl]amine Formula: C26H35N7+2 MolecularWeight: 445.603

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CC2=CC=CC=C2)C3=NC(=NC(=C3)N)[N+]4(CCNCC4)CC5=CC=CC=C5

Isomeric SMILES

C1C[N+](CCN1)(CC2=CC=CC=C2)C3=NC(=NC(=C3)N)[N+]4(CCNCC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H35N7/c27-24-19-25(32(15-11-28-12-16-32)20-22-7-3-1-4-8-22)31-26(30-24)33(17-13-29-14-18-33)21-23-9-5-2-6-10-23/h1-10,19,28-29H,11-18,20-21H2,(H2,27,30,31)/q+2