N2-phenyl-6-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-phenyl-6-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-phenyl-6-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-phenyl-6-[(1S)-1-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-phenyl-6-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(1S)-1-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethyl]-s-triazin-2-yl]-phenyl-amine Formula: C19H24N9+ MolecularWeight: 378.45416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@@H](C1=NC(=NC(=N1)NC2=CC=CC=C2)N)[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H23N9/c1-14(27-10-12-28(13-11-27)19-21-8-5-9-22-19)16-24-17(20)26-18(25-16)23-15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H3,20,23,24,25,26)/p+1/t14-/m0/s1