2-[5-(4-tert-butylphenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: 2-[5-(4-tert-butylphenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: 2-[5-(4-tert-butylphenyl)-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-tert-butylphenyl)-6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetate IUPAC Name: 2-[5-(4-tert-butylphenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(4-tert-butylphenyl)-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetate Formula: C20H21N2O3S- MolecularWeight: 369.45734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=CN(C2=O)CC(=O)[O-])C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)CC(=O)[O-])C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H22N2O3S/c1-5-14-16(12-6-8-13(9-7-12)20(2,3)4)17-18(26-14)21-11-22(19(17)25)10-15(23)24/h6-9,11H,5,10H2,1-4H3,(H,23,24)/p-1