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

Systemtic Name: prop-2-enyl 5-methyl-2-[[2-oxidanylbutyl(prop-2-enyl)amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: allyl 2-[[allyl(2-hydroxybutyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-hydroxybutyl(prop-2-enyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[[2-hydroxybutyl(prop-2-enyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[allyl(2-hydroxybutyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid allyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN(CC=C)CC1=NC2=C(C(=C(S2)C(=O)OCC=C)C)C(=O)N1)O

Isomeric SMILES

CCC(CN(CC=C)CC1=NC2=C(C(=C(S2)C(=O)OCC=C)C)C(=O)N1)O

InChI

InChI=1S/C19H25N3O4S/c1-5-8-22(10-13(23)7-3)11-14-20-17(24)15-12(4)16(27-18(15)21-14)19(25)26-9-6-2/h5-6,13,23H,1-2,7-11H2,3-4H3,(H,20,21,24)