3-[(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate

Systemtic Name: 3-[(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: 3-[(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 3-[(6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]benzoate IUPAC Name: 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 3-[(6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Formula: C16H13N2O3S- MolecularWeight: 313.35102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C16H14N2O3S/c1-2-12-7-13-14(22-12)17-9-18(15(13)19)8-10-4-3-5-11(6-10)16(20)21/h3-7,9H,2,8H2,1H3,(H,20,21)/p-1