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

Systemtic Name: 2-[6-ethyl-4-oxidanylidene-2-(phenylmethyl)thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: 2-(2-benzyl-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetate CAS Name: 2-[6-ethyl-4-oxo-2-(phenylmethyl)-3-thieno[2,3-d]pyrimidinyl]acetate IUPAC Name: 2-(2-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate Traditional Name: 2-(2-benzyl-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)acetate Formula: C17H15N2O3S- MolecularWeight: 327.3776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c1-2-12-9-13-16(23-12)18-14(8-11-6-4-3-5-7-11)19(17(13)22)10-15(20)21/h3-7,9H,2,8,10H2,1H3,(H,20,21)/p-1