methyl 2-[[cyclohexyl-(3-ethoxy-2-oxidanyl-propyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[[cyclohexyl-(3-ethoxy-2-oxidanyl-propyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[cyclohexyl-(3-ethoxy-2-hydroxy-propyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[cyclohexyl-(3-ethoxy-2-hydroxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[cyclohexyl-(3-ethoxy-2-hydroxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[cyclohexyl-(3-ethoxy-2-hydroxy-propyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(CN(CC1=NC2=C(C(=C(S2)C(=O)OC)C)C(=O)N1)C3CCCCC3)O

Isomeric SMILES

CCOCC(CN(CC1=NC2=C(C(=C(S2)C(=O)OC)C)C(=O)N1)C3CCCCC3)O

InChI

InChI=1S/C21H31N3O5S/c1-4-29-12-15(25)10-24(14-8-6-5-7-9-14)11-16-22-19(26)17-13(2)18(21(27)28-3)30-20(17)23-16/h14-15,25H,4-12H2,1-3H3,(H,22,23,26)