1-azanylethylideneazanium; ethyl 5-methyl-4-oxidanylidene-2-(sulfanylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate; chloride

Systemtic Name: 1-azanylethylideneazanium; ethyl 5-methyl-4-oxidanylidene-2-(sulfanylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate; chloride Openeye Name: 1-aminoethylideneammonium; ethyl 5-methyl-4-oxo-2-(sulfanylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate; chloride CAS Name: 1-aminoethylideneammonium; 2-(mercaptomethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester; chloride IUPAC Name: 1-aminoethylideneazanium; ethyl 5-methyl-4-oxo-2-(sulfanylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate; chloride Traditional Name: 1-aminoethylideneammonium; 4-keto-2-(mercaptomethyl)-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester; chloride Formula: C13H19ClN4O3S2 MolecularWeight: 378.89796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CS)C.CC(=[NH2+])N.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CS)C.CC(=[NH2+])N.[Cl-]

InChI

InChI=1S/C11H12N2O3S2.C2H6N2.ClH/c1-3-16-11(15)8-5(2)7-9(14)12-6(4-17)13-10(7)18-8;1-2(3)4;/h17H,3-4H2,1-2H3,(H,12,13,14);1H3,(H3,3,4);1H