ethyl 3-[(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate

Systemtic Name: ethyl 3-[(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: ethyl 3-[(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 3-[(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 3-[(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid ethyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=C(S3)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=C(S3)C)C

InChI

InChI=1S/C18H18N2O3S/c1-4-23-18(22)14-7-5-6-13(8-14)9-20-10-19-16-15(17(20)21)11(2)12(3)24-16/h5-8,10H,4,9H2,1-3H3