ethyl 2,5-dimethyl-4-oxidanylidene-3-(2-oxidanyl-3-phenylmethoxy-propyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-oxidanylidene-3-(2-oxidanyl-3-phenylmethoxy-propyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-(3-benzyloxy-2-hydroxy-propyl)-2,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(2-hydroxy-3-phenylmethoxypropyl)-2,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-hydroxy-3-phenylmethoxypropyl)-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(3-benzoxy-2-hydroxy-propyl)-4-keto-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC(COCC3=CC=CC=C3)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC(COCC3=CC=CC=C3)O)C)C

InChI

InChI=1S/C21H24N2O5S/c1-4-28-21(26)18-13(2)17-19(29-18)22-14(3)23(20(17)25)10-16(24)12-27-11-15-8-6-5-7-9-15/h5-9,16,24H,4,10-12H2,1-3H3