S-[4,6-bis(diethylamino)-1,3,5-triazin-2-yl] 2-(propan-2-ylcarbamoylamino)ethanethioate

Systemtic Name: S-[4,6-bis(diethylamino)-1,3,5-triazin-2-yl] 2-(propan-2-ylcarbamoylamino)ethanethioate Openeye Name: S-[4,6-bis(diethylamino)-1,3,5-triazin-2-yl] 2-(isopropylcarbamoylamino)ethanethioate CAS Name: 2-[[oxo-(propan-2-ylamino)methyl]amino]ethanethioic acid S-[4,6-bis(diethylamino)-1,3,5-triazin-2-yl] ester IUPAC Name: S-[4,6-bis(diethylamino)-1,3,5-triazin-2-yl] 2-(propan-2-ylcarbamoylamino)ethanethioate Traditional Name: 2-(isopropylcarbamoylamino)ethanethioic acid S-[4,6-bis(diethylamino)-s-triazin-2-yl] ester Formula: C17H31N7O2S MolecularWeight: 397.53874

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=N1)SC(=O)CNC(=O)NC(C)C)N(CC)CC

Isomeric SMILES

CCN(CC)C1=NC(=NC(=N1)SC(=O)CNC(=O)NC(C)C)N(CC)CC

InChI

InChI=1S/C17H31N7O2S/c1-7-23(8-2)14-20-15(24(9-3)10-4)22-17(21-14)27-13(25)11-18-16(26)19-12(5)6/h12H,7-11H2,1-6H3,(H2,18,19,26)