ethyl 2-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-1-ium-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidin-1-iumyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-1-ium-2-yl)thio]acetic acid ethyl ester Formula: C12H16N3O2S2+ MolecularWeight: 298.40434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C2C(=C(SC2=[NH+]1)C)C)N

Isomeric SMILES

CCOC(=O)CSC1=NC(=C2C(=C(SC2=[NH+]1)C)C)N

InChI

InChI=1S/C12H15N3O2S2/c1-4-17-8(16)5-18-12-14-10(13)9-6(2)7(3)19-11(9)15-12/h4-5H2,1-3H3,(H2,13,14,15)/p+1