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

Systemtic Name: propan-2-yl 5-methyl-2-[[2-oxidanylhex-5-enyl(prop-2-enyl)amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-6-8-9-15(25)11-24(10-7-2)12-16-22-19(26)17-14(5)18(29-20(17)23-16)21(27)28-13(3)4/h6-7,13,15,25H,1-2,8-12H2,3-5H3,(H,22,23,26)