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

Systemtic Name: propan-2-yl 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(phenethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 5-methyl-4-oxo-3-[2-oxo-2-(phenethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-(phenethylamino)ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-methyl-4-oxo-3-[2-oxo-2-(phenethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(phenethylamino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCC3=CC=CC=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCC3=CC=CC=C3)C(=O)OC(C)C

InChI

InChI=1S/C21H23N3O4S/c1-13(2)28-21(27)18-14(3)17-19(29-18)23-12-24(20(17)26)11-16(25)22-10-9-15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3,(H,22,25)