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

Systemtic Name: phenethyl 2-ethyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 2-ethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-ethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2-ethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-ethyl-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=C(S2)C(=O)OCCC3=CC=CC=C3)C)C(=O)N1

Isomeric SMILES

CCC1=NC2=C(C(=C(S2)C(=O)OCCC3=CC=CC=C3)C)C(=O)N1

InChI

InChI=1S/C18H18N2O3S/c1-3-13-19-16(21)14-11(2)15(24-17(14)20-13)18(22)23-10-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,19,20,21)