N4-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-pyrimidin-3-ium-2,4-diamine

Systemtic Name: N4-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-pyrimidin-3-ium-2,4-diamine Openeye Name: N4-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-pyrimidin-3-ium-2,4-diamine CAS Name: N4-[(1S)-1-(1,5-dimethyl-4-pyrazolyl)ethyl]-6-methylpyrimidin-3-ium-2,4-diamine IUPAC Name: 4-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methylpyrimidin-3-ium-2,4-diamine Traditional Name: (2-amino-6-methyl-pyrimidin-3-ium-4-yl)-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amine Formula: C12H19N6+ MolecularWeight: 247.31946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N)NC(C)C2=C(N(N=C2)C)C

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N)N[C@@H](C)C2=C(N(N=C2)C)C

InChI

InChI=1S/C12H18N6/c1-7-5-11(17-12(13)15-7)16-8(2)10-6-14-18(4)9(10)3/h5-6,8H,1-4H3,(H3,13,15,16,17)/p+1/t8-/m0/s1