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

Systemtic Name: phenethyl 5-methyl-4-oxidanylidene-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-4-oxo-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-(3-phenoxypropyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-oxo-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCCOC3=CC=CC=C3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCCOC3=CC=CC=C3)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O4S/c1-18-21-23(32-22(18)25(29)31-16-13-19-9-4-2-5-10-19)26-17-27(24(21)28)14-8-15-30-20-11-6-3-7-12-20/h2-7,9-12,17H,8,13-16H2,1H3