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

Systemtic Name: 5-[2-(4-chlorophenyl)-3-methyl-1-oxidanidyl-3H-indol-1-ium-6-yl]pyrimidin-2-amine Openeye Name: 5-[2-(4-chlorophenyl)-3-methyl-1-oxido-3H-indol-1-ium-6-yl]pyrimidin-2-amine CAS Name: 5-[2-(4-chlorophenyl)-3-methyl-1-oxido-3H-indol-1-ium-6-yl]-2-pyrimidinamine IUPAC Name: 5-[2-(4-chlorophenyl)-3-methyl-1-oxido-3H-indol-1-ium-6-yl]pyrimidin-2-amine Traditional Name: [5-[2-(4-chlorophenyl)-3-methyl-1-oxido-3H-indol-1-ium-6-yl]pyrimidin-2-yl]amine Formula: C19H15ClN4O MolecularWeight: 350.8016

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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)Cl)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN4O/c1-11-16-7-4-13(14-9-22-19(21)23-10-14)8-17(16)24(25)18(11)12-2-5-15(20)6-3-12/h2-11H,1H3,(H2,21,22,23)