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

Systemtic Name: methyl 2-[[cyclohexyl-(2-oxidanyl-3-phenylmethoxy-propyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[(3-benzyloxy-2-hydroxy-propyl)-cyclohexyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[cyclohexyl-(2-hydroxy-3-phenylmethoxypropyl)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-phenylmethoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(3-benzoxy-2-hydroxy-propyl)-cyclohexyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(COCC3=CC=CC=C3)O)C4CCCCC4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(COCC3=CC=CC=C3)O)C4CCCCC4)C(=O)OC

InChI

InChI=1S/C26H33N3O5S/c1-17-22-24(31)27-21(28-25(22)35-23(17)26(32)33-2)14-29(19-11-7-4-8-12-19)13-20(30)16-34-15-18-9-5-3-6-10-18/h3,5-6,9-10,19-20,30H,4,7-8,11-16H2,1-2H3,(H,27,28,31)