2-phenoxyethyl 5-methyl-4-oxidanylidene-2-propyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-phenoxyethyl 5-methyl-4-oxidanylidene-2-propyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-phenoxyethyl 5-methyl-4-oxo-2-propyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-propyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 5-methyl-4-oxo-2-propyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-propyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-phenoxyethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=C(S2)C(=O)OCCOC3=CC=CC=C3)C)C(=O)N1

Isomeric SMILES

CCCC1=NC2=C(C(=C(S2)C(=O)OCCOC3=CC=CC=C3)C)C(=O)N1

InChI

InChI=1S/C19H20N2O4S/c1-3-7-14-20-17(22)15-12(2)16(26-18(15)21-14)19(23)25-11-10-24-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,20,21,22)