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

Systemtic Name: 2-methylpropyl 5-methyl-4-oxidanylidene-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-14(2)12-27-21(25)18-15(3)17-19(28-18)22-13-23(20(17)24)10-7-11-26-16-8-5-4-6-9-16/h4-6,8-9,13-14H,7,10-12H2,1-3H3