(phenylmethyl) 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 5-methyl-4-oxo-3-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-4-oxo-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(tetrahydrofurfurylamino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC3CCCO3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC3CCCO3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O5S/c1-14-18-20(31-19(14)22(28)30-12-15-6-3-2-4-7-15)24-13-25(21(18)27)11-17(26)23-10-16-8-5-9-29-16/h2-4,6-7,13,16H,5,8-12H2,1H3,(H,23,26)