phenethyl 5-methyl-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 5-methyl-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-3-(2-morpholino-2-oxo-ethyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[2-(4-morpholinyl)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-(2-keto-2-morpholino-ethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl 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)N3CCOCC3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCOCC3)C(=O)OCCC4=CC=CC=C4

InChI

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