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

Systemtic Name: methyl 2-[[cyclohexyl-(3-methoxy-2-oxidanyl-propyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[cyclohexyl-(2-hydroxy-3-methoxy-propyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[cyclohexyl-(2-hydroxy-3-methoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[cyclohexyl-(2-hydroxy-3-methoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[cyclohexyl-(2-hydroxy-3-methoxy-propyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(COC)O)C3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(COC)O)C3CCCCC3)C(=O)OC

InChI

InChI=1S/C20H29N3O5S/c1-12-16-18(25)21-15(22-19(16)29-17(12)20(26)28-3)10-23(9-14(24)11-27-2)13-7-5-4-6-8-13/h13-14,24H,4-11H2,1-3H3,(H,21,22,25)