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

Systemtic Name: methyl 2-[[cyclohexyl-(2-oxidanyl-3-prop-2-enoxy-propyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[(3-allyloxy-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-prop-2-enoxypropyl)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-prop-2-enoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(3-allyloxy-2-hydroxy-propyl)-cyclohexyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O5S/c1-4-10-30-13-16(26)11-25(15-8-6-5-7-9-15)12-17-23-20(27)18-14(2)19(22(28)29-3)31-21(18)24-17/h4,15-16,26H,1,5-13H2,2-3H3,(H,23,24,27)