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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2,5-dimethyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)OCC(=O)N(CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)OCC(=O)N(CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H23N3O4S/c1-12(2)24(10-15-8-6-5-7-9-15)16(25)11-28-21(27)18-13(3)17-19(26)22-14(4)23-20(17)29-18/h5-9,12H,10-11H2,1-4H3,(H,22,23,26)