2-[2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanoyl-ethyl-amino]-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanoyl-ethyl-amino]-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]-ethyl-amino]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)thio]-1-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[[2-[(4,6-diamino-s-triazin-2-yl)thio]acetyl]-ethyl-amino]-N-(4-fluorobenzyl)acetamide Formula: C16H20FN7O2S MolecularWeight: 393.439103

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CSC2=NC(=NC(=N2)N)N

Isomeric SMILES

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CSC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C16H20FN7O2S/c1-2-24(8-12(25)20-7-10-3-5-11(17)6-4-10)13(26)9-27-16-22-14(18)21-15(19)23-16/h3-6H,2,7-9H2,1H3,(H,20,25)(H4,18,19,21,22,23)