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

Systemtic Name: 2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H18N3O4S2- MolecularWeight: 380.46182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3CCCCC3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3CCCCC3)C(=O)[O-]

InChI

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