4-azanyl-5-methyl-2-prop-2-ynylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-azanyl-5-methyl-2-prop-2-ynylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-amino-5-methyl-2-prop-2-ynylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-amino-5-methyl-2-(prop-2-ynylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-amino-5-methyl-2-prop-2-ynylsulfanylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-amino-5-methyl-2-(propargylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C11H9N3O2S2 MolecularWeight: 279.33806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)SCC#C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)SCC#C)C(=O)O

InChI

InChI=1S/C11H9N3O2S2/c1-3-4-17-11-13-8(12)6-5(2)7(10(15)16)18-9(6)14-11/h1H,4H2,2H3,(H,15,16)(H2,12,13,14)