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

Systemtic Name: ethyl 5-methyl-2-[[2-oxidanylhex-5-enyl(prop-2-enyl)amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[[allyl(2-hydroxyhex-5-enyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-hydroxyhex-5-enyl(prop-2-enyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-hydroxyhex-5-enyl(prop-2-enyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[allyl(2-hydroxyhex-5-enyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CN(CC=C)CC(CCC=C)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CN(CC=C)CC(CCC=C)O)C

InChI

InChI=1S/C20H27N3O4S/c1-5-8-9-14(24)11-23(10-6-2)12-15-21-18(25)16-13(4)17(20(26)27-7-3)28-19(16)22-15/h5-6,14,24H,1-2,7-12H2,3-4H3,(H,21,22,25)