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

Systemtic Name: 6-methyl-N4-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrimidin-3-ium-2,4-diamine Openeye Name: 6-methyl-N4-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrimidin-3-ium-2,4-diamine CAS Name: 6-methyl-N4-[(1S)-1-(1-phenyl-4-pyrazolyl)ethyl]pyrimidin-3-ium-2,4-diamine IUPAC Name: 6-methyl-4-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrimidin-3-ium-2,4-diamine Traditional Name: (2-amino-6-methyl-pyrimidin-3-ium-4-yl)-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amine Formula: C16H19N6+ MolecularWeight: 295.36226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N)NC(C)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N)N[C@@H](C)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H18N6/c1-11-8-15(21-16(17)19-11)20-12(2)13-9-18-22(10-13)14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H3,17,19,20,21)/p+1/t12-/m0/s1