N-(2,3-dimethylphenyl)-5-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine

Systemtic Name: N-(2,3-dimethylphenyl)-5-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine Openeye Name: N-(2,3-dimethylphenyl)-5-fluoro-4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine CAS Name: N-(2,3-dimethylphenyl)-5-fluoro-4-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinamine IUPAC Name: N-(2,3-dimethylphenyl)-5-fluoro-4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine Traditional Name: (2,3-dimethylphenyl)-[5-fluoro-4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]amine Formula: C17H23FN5+ MolecularWeight: 316.396423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NC=C(C(=N2)N3CC[NH+](CC3)C)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NC=C(C(=N2)N3CC[NH+](CC3)C)F)C

InChI

InChI=1S/C17H22FN5/c1-12-5-4-6-15(13(12)2)20-17-19-11-14(18)16(21-17)23-9-7-22(3)8-10-23/h4-6,11H,7-10H2,1-3H3,(H,19,20,21)/p+1