potassium 5-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: potassium 5-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: potassium 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: potassium 5-methyl-4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: potassium 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: potassium 2-[[2-(benzylamino)-2-keto-ethyl]thio]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H14KN3O4S2 MolecularWeight: 427.53906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCC3=CC=CC=C3)C(=O)[O-].[K+]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCC3=CC=CC=C3)C(=O)[O-].[K+]

InChI

InChI=1S/C17H15N3O4S2.K/c1-9-12-14(22)19-17(20-15(12)26-13(9)16(23)24)25-8-11(21)18-7-10-5-3-2-4-6-10;/h2-6H,7-8H2,1H3,(H,18,21)(H,23,24)(H,19,20,22);/q;+1/p-1