methyl 2-[[3-methoxypropyl(2-oxidanylbutyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[[3-methoxypropyl(2-oxidanylbutyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[2-hydroxybutyl(3-methoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-hydroxybutyl(3-methoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-hydroxybutyl(3-methoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[2-hydroxybutyl(3-methoxypropyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN(CCCOC)CC1=NC2=C(C(=C(S2)C(=O)OC)C)C(=O)N1)O

Isomeric SMILES

CCC(CN(CCCOC)CC1=NC2=C(C(=C(S2)C(=O)OC)C)C(=O)N1)O

InChI

InChI=1S/C18H27N3O5S/c1-5-12(22)9-21(7-6-8-25-3)10-13-19-16(23)14-11(2)15(18(24)26-4)27-17(14)20-13/h12,22H,5-10H2,1-4H3,(H,19,20,23)