5-fluoranyl-N2,N4-bis[4-[1-(phenylmethyl)piperazin-1-ium-1-yl]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 5-fluoranyl-N2,N4-bis[4-[1-(phenylmethyl)piperazin-1-ium-1-yl]phenyl]pyrimidine-2,4-diamine Openeye Name: N2,N4-bis[4-(1-benzylpiperazin-1-ium-1-yl)phenyl]-5-fluoro-pyrimidine-2,4-diamine CAS Name: 5-fluoro-N2,N4-bis[4-[1-(phenylmethyl)-1-piperazin-1-iumyl]phenyl]pyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis[4-(1-benzylpiperazin-1-ium-1-yl)phenyl]-5-fluoropyrimidine-2,4-diamine Traditional Name: [2-[4-(1-benzylpiperazin-1-ium-1-yl)anilino]-5-fluoro-pyrimidin-4-yl]-[4-(1-benzylpiperazin-1-ium-1-yl)phenyl]amine Formula: C38H43FN8+2 MolecularWeight: 630.800023

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CC2=CC=CC=C2)C3=CC=C(C=C3)NC4=NC(=NC=C4F)NC5=CC=C(C=C5)[N+]6(CCNCC6)CC7=CC=CC=C7

Isomeric SMILES

C1C[N+](CCN1)(CC2=CC=CC=C2)C3=CC=C(C=C3)NC4=NC(=NC=C4F)NC5=CC=C(C=C5)[N+]6(CCNCC6)CC7=CC=CC=C7

InChI

InChI=1S/C38H43FN8/c39-36-27-42-38(44-33-13-17-35(18-14-33)47(25-21-41-22-26-47)29-31-9-5-2-6-10-31)45-37(36)43-32-11-15-34(16-12-32)46(23-19-40-20-24-46)28-30-7-3-1-4-8-30/h1-18,27,40-41H,19-26,28-29H2,(H2,42,43,44,45)/q+2