5-[3-methyl-2-(4-methylphenyl)-1-oxidanidyl-3H-indol-1-ium-6-yl]pyrimidin-2-amine

Systemtic Name: 5-[3-methyl-2-(4-methylphenyl)-1-oxidanidyl-3H-indol-1-ium-6-yl]pyrimidin-2-amine Openeye Name: 5-[3-methyl-1-oxido-2-(p-tolyl)-3H-indol-1-ium-6-yl]pyrimidin-2-amine CAS Name: 5-[3-methyl-2-(4-methylphenyl)-1-oxido-3H-indol-1-ium-6-yl]-2-pyrimidinamine IUPAC Name: 5-[3-methyl-2-(4-methylphenyl)-1-oxido-3H-indol-1-ium-6-yl]pyrimidin-2-amine Traditional Name: [5-[3-methyl-1-oxido-2-(p-tolyl)-3H-indol-1-ium-6-yl]pyrimidin-2-yl]amine Formula: C20H18N4O MolecularWeight: 330.38312

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=C(C=C2)C3=CN=C(N=C3)N)[N+](=C1C4=CC=C(C=C4)C)[O-]

Isomeric SMILES

CC1C2=C(C=C(C=C2)C3=CN=C(N=C3)N)[N+](=C1C4=CC=C(C=C4)C)[O-]

InChI

InChI=1S/C20H18N4O/c1-12-3-5-14(6-4-12)19-13(2)17-8-7-15(9-18(17)24(19)25)16-10-22-20(21)23-11-16/h3-11,13H,1-2H3,(H2,21,22,23)