dipotassium 5-methyl-6-(2-methylpropyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-2-carboxylate hydrate

Systemtic Name: dipotassium 5-methyl-6-(2-methylpropyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-2-carboxylate hydrate Openeye Name: dipotassium 6-isobutyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate hydrate CAS Name: dipotassium 5-methyl-6-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate hydrate IUPAC Name: dipotassium 5-methyl-6-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate hydrate Traditional Name: dipotassium 6-isobutyl-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-2-carboxylate hydrate Formula: C12H15K2N2O4S+ MolecularWeight: 361.5201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(=O)[O-])CC(C)C.O.[K+].[K+]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(=O)[O-])CC(C)C.O.[K+].[K+]

InChI

InChI=1S/C12H14N2O3S.2K.H2O/c1-5(2)4-7-6(3)8-10(15)13-9(12(16)17)14-11(8)18-7;;;/h5H,4H2,1-3H3,(H,16,17)(H,13,14,15);;;1H2/q;2*+1;/p-1