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

Systemtic Name: methyl 2-[[furan-2-ylmethyl(2-oxidanylhex-5-enyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[2-furylmethyl(2-hydroxyhex-5-enyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-furanylmethyl(2-hydroxyhex-5-enyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[furan-2-ylmethyl(2-hydroxyhex-5-enyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[2-furfuryl(2-hydroxyhex-5-enyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC3=CC=CO3)CC(CCC=C)O)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC3=CC=CO3)CC(CCC=C)O)C(=O)OC

InChI

InChI=1S/C21H25N3O5S/c1-4-5-7-14(25)10-24(11-15-8-6-9-29-15)12-16-22-19(26)17-13(2)18(21(27)28-3)30-20(17)23-16/h4,6,8-9,14,25H,1,5,7,10-12H2,2-3H3,(H,22,23,26)