N2-(3-fluoranyl-4-methoxy-phenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(3-fluoranyl-4-methoxy-phenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine Openeye Name: N2-(3-fluoro-4-methoxy-phenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine CAS Name: N2-(3-fluoro-4-methoxyphenyl)-6-(4-methyl-1-piperazinyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperazino)-s-triazin-2-yl]-(3-fluoro-4-methoxy-phenyl)amine Formula: C15H20FN7O MolecularWeight: 333.364003

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=N2)NC3=CC(=C(C=C3)OC)F)N

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=N2)NC3=CC(=C(C=C3)OC)F)N

InChI

InChI=1S/C15H20FN7O/c1-22-5-7-23(8-6-22)15-20-13(17)19-14(21-15)18-10-3-4-12(24-2)11(16)9-10/h3-4,9H,5-8H2,1-2H3,(H3,17,18,19,20,21)