5-methyl-3-[[(3S)-3-oxidanylbutanoyl]amino]-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-3-[[(3S)-3-oxidanylbutanoyl]amino]-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-[[(3S)-3-hydroxybutanoyl]amino]-5-methyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[[(3S)-3-hydroxy-1-oxobutyl]amino]-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 3-[[(3S)-3-hydroxybutanoyl]amino]-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[[(3S)-3-hydroxybutanoyl]amino]-4-keto-5-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C12H12N3O5S2- MolecularWeight: 342.37078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=S)N2)NC(=O)CC(C)O)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=S)N2)NC(=O)C[C@H](C)O)C(=O)[O-]

InChI

InChI=1S/C12H13N3O5S2/c1-4(16)3-6(17)14-15-10(18)7-5(2)8(11(19)20)22-9(7)13-12(15)21/h4,16H,3H2,1-2H3,(H,13,21)(H,14,17)(H,19,20)/p-1/t4-/m0/s1