methyl 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-3-oxo-butanoate CAS Name: 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-3-oxobutanoate Traditional Name: 2-[[4,6-bis(ethylamino)-s-triazin-2-yl]thio]-3-keto-butyric acid methyl ester Formula: C12H19N5O3S MolecularWeight: 313.37596

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=N1)SC(C(=O)C)C(=O)OC)NCC

Isomeric SMILES

CCNC1=NC(=NC(=N1)SC(C(=O)C)C(=O)OC)NCC

InChI

InChI=1S/C12H19N5O3S/c1-5-13-10-15-11(14-6-2)17-12(16-10)21-8(7(3)18)9(19)20-4/h8H,5-6H2,1-4H3,(H2,13,14,15,16,17)