propan-2-yl 2-[[3-methoxypropyl-(2-methyl-2-oxidanyl-but-3-enyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: propan-2-yl 2-[[3-methoxypropyl-(2-methyl-2-oxidanyl-but-3-enyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-[[(2-hydroxy-2-methyl-but-3-enyl)-(3-methoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-2-methylbut-3-enyl)-(3-methoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(2-hydroxy-2-methylbut-3-enyl)-(3-methoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(2-hydroxy-2-methyl-but-3-enyl)-(3-methoxypropyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5S/c1-7-21(5,27)12-24(9-8-10-28-6)11-15-22-18(25)16-14(4)17(30-19(16)23-15)20(26)29-13(2)3/h7,13,27H,1,8-12H2,2-6H3,(H,22,23,25)