2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3-cyclohexyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3-cyclohexyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-3-cyclohexyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[(2-amino-2-oxoethyl)thio]-3-cyclohexyl-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-3-cyclohexyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-3-cyclohexyl-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N)C3CCCCC3)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N)C3CCCCC3)C(=O)O

InChI

InChI=1S/C16H19N3O4S2/c1-8-11-13(25-12(8)15(22)23)18-16(24-7-10(17)20)19(14(11)21)9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H2,17,20)(H,22,23)