propan-2-yl 2-[[(3-butanoyloxy-2-oxidanyl-propyl)-cyclopropyl-amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: propan-2-yl 2-[[(3-butanoyloxy-2-oxidanyl-propyl)-cyclopropyl-amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-[[(3-butanoyloxy-2-hydroxy-propyl)-cyclopropyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[cyclopropyl-[2-hydroxy-3-(1-oxobutoxy)propyl]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-[[(3-butanoyloxy-2-hydroxypropyl)-cyclopropylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(3-butyryloxy-2-hydroxy-propyl)-cyclopropyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C22H31N3O6S MolecularWeight: 465.56304

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CN(CC1=NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)N1)C3CC3)O

Isomeric SMILES

CCCC(=O)OCC(CN(CC1=NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)N1)C3CC3)O

InChI

InChI=1S/C22H31N3O6S/c1-5-6-17(27)30-11-15(26)9-25(14-7-8-14)10-16-23-20(28)18-13(4)19(32-21(18)24-16)22(29)31-12(2)3/h12,14-15,26H,5-11H2,1-4H3,(H,23,24,28)