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

Systemtic Name: propan-2-yl 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 3-[2-(benzylamino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-[(phenylmethyl)amino]ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[2-(benzylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(benzylamino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC3=CC=CC=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC3=CC=CC=C3)C(=O)OC(C)C

InChI

InChI=1S/C20H21N3O4S/c1-12(2)27-20(26)17-13(3)16-18(28-17)22-11-23(19(16)25)10-15(24)21-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)