N-[(1R)-3-(1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine

Systemtic Name: N-[(1R)-3-(1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine Openeye Name: N-[(1R)-3-(1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine CAS Name: N-[(1R)-3-(1H-imidazol-3-ium-3-yl)-1-phenylpropyl]-4-(1-methyl-4-pyrazolyl)-2-pyrimidinamine IUPAC Name: N-[(1R)-3-(1H-imidazol-3-ium-3-yl)-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine Traditional Name: [(1R)-3-(1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amine Formula: C20H22N7+ MolecularWeight: 360.43558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NC(=NC=C2)NC(CC[N+]3=CNC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C2=NC(=NC=C2)N[C@H](CC[N+]3=CNC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N7/c1-26-14-17(13-23-26)18-7-9-22-20(24-18)25-19(16-5-3-2-4-6-16)8-11-27-12-10-21-15-27/h2-7,9-10,12-15,19H,8,11H2,1H3,(H,22,24,25)/p+1/t19-/m1/s1