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

Systemtic Name: ethyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-3-oxo-butanoate CAS Name: 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-3-oxobutanoate Traditional Name: 2-[[4,6-bis(dimethylamino)-s-triazin-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C13H21N5O3S MolecularWeight: 327.40254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=NC(=NC(=N1)N(C)C)N(C)C

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=NC(=NC(=N1)N(C)C)N(C)C

InChI

InChI=1S/C13H21N5O3S/c1-7-21-10(20)9(8(2)19)22-13-15-11(17(3)4)14-12(16-13)18(5)6/h9H,7H2,1-6H3