methyl 4-[[2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(4,6-diamino-1,3,5-triazin-2-yl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(4,6-diamino-s-triazin-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C14H16N6O3S MolecularWeight: 348.38024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC(=NC(=N2)N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C14H16N6O3S/c1-23-11(22)9-4-2-8(3-5-9)6-17-10(21)7-24-14-19-12(15)18-13(16)20-14/h2-5H,6-7H2,1H3,(H,17,21)(H4,15,16,18,19,20)